<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Lalitha Tanjore Arunachalam</style></author><author><style face="normal" font="default" size="100%">Snophia Suresh</style></author><author><style face="normal" font="default" size="100%">Vamsi Lavu</style></author><author><style face="normal" font="default" size="100%">Shankarram Vedamanickam</style></author><author><style face="normal" font="default" size="100%">Nissanthe Nagarajan</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Andrographolide and Resveratrol as Potential Modulators of AIM2 and IFI16 Inflammasomes in Periodontitis: A Docking Study</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">AIM2 inflammasome</style></keyword><keyword><style  face="normal" font="default" size="100%">Andrographolide</style></keyword><keyword><style  face="normal" font="default" size="100%">IFI16 inflammasome</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Periodontitis</style></keyword><keyword><style  face="normal" font="default" size="100%">Resveratrol</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">April 2025</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">17</style></volume><pages><style face="normal" font="default" size="100%">179-187</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;Proinflammatory cytokines play a critical role in the destruction of periodontal tissues. DNAsensing inflammasomes, such as AIM2 and IFI16, are key mediators in the secretion of IL-1 and IL-18 and facilitate pyroptosis in periodontitis. Andrographolide and resveratrol are phytocompounds known for their anti-inflammatory effects, though their precise mechanisms of action remain uncertain. This study aimed to elucidate the molecular interactions of andrographolide and resveratrol with AIM2 and IFI16 inflammasomes using a computational approach. &lt;strong&gt;Methods:&lt;/strong&gt; Ten phytocompounds were selected and analyzed via molecular docking. Protein-ligand docking was conducted with AutoDock 4.2.6. Binding affinities and hydrogen bond interactions were assessed. Andrographolide and resveratrol complexes with AIM2 and IFI16 were further subjected to 100 ns molecular dynamics simulations using GROMACS software to assess complex stability. &lt;strong&gt;Results: &lt;/strong&gt;Both andrographolide and resveratrol complexes demonstrated stability throughout the simulations, with adequate inter-hydrogen bonding. Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) analysis revealed that AIM2-andrographolide (-112.100 ± 18.106 kJ/mol) and IFI16-andrographolide (-50.047 ± 27.076 kJ/mol) complexes exhibited higher binding energies compared to AIM2-resveratrol (-15.328 ± 2.539 kJ/mol) and IFI16-resveratrol (-12.534 ± 20.184 kJ/mol) complexes. &lt;strong&gt;Conclusion:&lt;/strong&gt; Molecular docking and dynamics analyses indicate that andrographolide demonstrates a stronger binding affinity to AIM2 and IFI16 inflammasomes compared to resveratrol. This suggests andrographolide as a promising host modulatory candidate for the therapeutic management of periodontitis.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">179</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Lalitha Tanjore Arunachalam&lt;sup&gt;1&lt;/sup&gt;, Snophia Suresh&lt;sup&gt;1&lt;/sup&gt;, Vamsi Lavu&lt;sup&gt;2&lt;/sup&gt;, Shankarram Vedamanickam&lt;sup&gt;1&lt;/sup&gt;, Nissanthe Nagarajan&lt;sup&gt;1&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Periodontics, Thai Moogambigai Dental College Chennai&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Periodontics, Sri Ramachandra Dental College Chennai&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Wanda Shekwa</style></author><author><style face="normal" font="default" size="100%">Mashilo Mash Matotoka</style></author><author><style face="normal" font="default" size="100%">Tsolanku Sydney Maliehe</style></author><author><style face="normal" font="default" size="100%">Peter Masoko</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In Vitro Antibacterial Activity, In-Silico Molecular Docking and Pharmacokinetic Profile of a Phytosterol Isolated from The Leaves of Carissa Bispinosa</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Antimicrobial</style></keyword><keyword><style  face="normal" font="default" size="100%">Carissa bispinosa</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Pharmacokinetics</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">January 2025</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">17</style></volume><pages><style face="normal" font="default" size="100%">99-106</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;em&gt;Carissa bispinosa (L.)&lt;/em&gt; Desf. Ex-Brenan is a medicinal plant widely used in South Africa. The study reports on the isolation of a phytosterol from &lt;em&gt;C. bispinosa&lt;/em&gt; along with molecular docking and pharmacokinetic studies. The phytochemicals were extracted with hexane, dichloromethane, acetone and methanol. The compound was isolated following a bioactivity-guided isolation protocol using column-chromatography and thin-layer chromatography. Nuclear magnetic resonance (NMR) was used for compound characterisation. The antimicrobial activity was assessed using bioautography and micro-broth dilution assays. AutoDock vina, SwissADME and ADMET lab were used for molecular docking, pharmacokinetic and toxicological properties, respectively. Drug-likeness was evaluated based on Lipinski's rule of five (Ro5). The isolated compound was identified as β-sitosterol. It had an anti-S. aureus activity of (0.31 mg/mL). It revealed binding scores of -7.2 and -6.4 kcal/mol against penicillin-binding protein and DNA gyrase, respectively. It violated one of Ro5 (MLOGP &amp;gt; 4.15). It has no inhibitory effects against isoforms of cytochrome P450. Moreover, it demonstrated no adverse effect on skin, non-carcinogenic and non-hepatotoxic effects. Based on the results, β-sitosterol can be considered as potential anti-&lt;em&gt;S. aureus&lt;/em&gt; drug. Further studies may focus on ascertaining the mechanism of action &lt;em&gt;in-vitro&lt;/em&gt; and investigating the synergistic effects of the compound with conventional drugs.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">99</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Wanda Shekwa, Mashilo Mash Matotoka, Tsolanku Sydney Maliehe, Peter Masoko*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;Department of Biochemistry, microbiology and Biotechnology, University of Limpopo, Private bag X1106, Sovenga 0727, SOUTH AFRICA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tiwuk Susantiningsih</style></author><author><style face="normal" font="default" size="100%">Ichwan Baihaki</style></author><author><style face="normal" font="default" size="100%">Maria Selvester Thadeaus</style></author><author><style face="normal" font="default" size="100%">Yuni Setyaningsih</style></author><author><style face="normal" font="default" size="100%">Mila Citrawati</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In-Silico Study of Bioactive Compounds from Moringa oleifera Fruit as Anti Premature Senescence Agents in Cardiac Cells: A Study on the p53 Protein</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Antioxidant</style></keyword><keyword><style  face="normal" font="default" size="100%">cellular senescence</style></keyword><keyword><style  face="normal" font="default" size="100%">in silico</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Moringa oleifera</style></keyword><keyword><style  face="normal" font="default" size="100%">p53 protein</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2025</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">17</style></volume><pages><style face="normal" font="default" size="100%">497-505</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;Cellular senescence, characterized by irreversible cell cycle arrest, contributes significantly to the pathogenesis of cardiovascular diseases through mechanisms involving oxidative stress and activation of p53-mediated signaling. &lt;em&gt;Moringa oleifera&lt;/em&gt;, widely recognized for its antioxidant properties, has demonstrated anti-aging effects; however, the specific bioactive compounds within its fruit and their mechanisms of action remain poorly understood. &lt;strong&gt;Objective: &lt;/strong&gt;This study aimed to investigate the potential of &lt;em&gt;M. oleifera &lt;/em&gt;fruit-derived compounds as anti-premature senescence agents targeting the p53 protein using in-silico molecular docking approaches. Methods: Bioactive compounds from &lt;em&gt;M. oleifera&lt;/em&gt; fruit were screened via molecular docking against the human p53 protein, with Nutlin-3 used as a positive control. Binding affinities, hydrogen bonding, and hydrophobic interactions were analyzed to determine ligand– receptor interactions. &lt;strong&gt;Results: &lt;/strong&gt;Niacin and oxalic acid exhibited stronger binding affinities (–5.90 and –6.00 kcal/mol, respectively) compared to Nutlin-3 (–5.64 kcal/mol). Niacin formed stable hydrogen bonds and hydrophobic interactions with key residues within the p53 active site, suggesting a capacity to modulate p53 activity. Oxalic acid demonstrated the highest binding affinity but lacked hydrogen bonding, indicating potential instability despite strong interaction. These findings support previous studies highlighting &lt;em&gt;M. oleifera's &lt;/em&gt;role in ROS suppression and p53 modulation, pointing to its therapeutic relevance in mitigating cellular aging. &lt;strong&gt;Conclusion: &lt;/strong&gt;Niacin and oxalic acid from &lt;em&gt;M. oleifera&lt;/em&gt; exhibit promising binding characteristics as modulators of the p53 pathway. Their anti-senescence potential warrants further validation through molecular dynamics simulations and biological assays. This study supports the development of natural compound-based therapeutics for age-related cardiac degeneration.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">497</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Tiwuk Susantiningsih&lt;sup&gt;1,2&lt;/sup&gt;, Ichwan Baihaki&lt;sup&gt;1*&lt;/sup&gt;, Maria Selvester Thadeaus&lt;sup&gt;1,2&lt;/sup&gt;, Yuni Setyaningsih&lt;sup&gt;1,2&lt;/sup&gt;, Mila Citrawati&lt;sup&gt;1,2&lt;/sup&gt; &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Faculty of Medicine, Universitas Pembangunan Nasional Veteran Jakarta, South Jakarta, Jakarta, 12450, INDONESIA&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Research Centre for Moringa Oleifera, Universitas Pembangunan Nasional Veteran Jakarta, South Jakarta, Jakarta, 12450, INDONESIA&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Mila Citrawati</style></author><author><style face="normal" font="default" size="100%">Assyafiya Salwa</style></author><author><style face="normal" font="default" size="100%">Yuni Setyaningsih</style></author><author><style face="normal" font="default" size="100%">Cut Fauziah</style></author><author><style face="normal" font="default" size="100%">Tiwuk Susantiningsih</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Moringa oleifera Fruit Secondary Metabolites Role in Sarcopenic Obesity via Fat Mass and Obesity-Associated Protein: An In Silico Analysis</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">and riboflavin</style></keyword><keyword><style  face="normal" font="default" size="100%">FTO protein</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Moringa oleifera fruit</style></keyword><keyword><style  face="normal" font="default" size="100%">sarcopenic obesity (SO)</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2025</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">17</style></volume><pages><style face="normal" font="default" size="100%">450-457</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;Sarcopenic obesity (SO) refers to the coexistence of sarcopenia and obesity, pathogenic interaction between loss of skeletal muscle and function and fat-mass accumulation. Fat mass and obesityassociated (FTO) protein is one of the proteins that involved in pathophysiology of SO. &lt;em&gt;Moringa oleifera&lt;/em&gt; is one of potential drug candidates for degenerative diseases due to its various bioactive metabolites from most parts of this plant. &lt;strong&gt;Objective:&lt;/strong&gt; An&lt;em&gt; in silico&lt;/em&gt; study, employing computational methods to simulate molecular interactions through molecular docking, aims to investigate the potential of &lt;em&gt;Moringa oleifera&lt;/em&gt; fruit secondary metabolites to interact with FTO protein. &lt;strong&gt;Methodology:&lt;/strong&gt; This study was carried out the molecular docking analysis of &lt;em&gt;Moringa oleifera&lt;/em&gt; fruit secondary metabolites that was retrieved from database and have been screened for drug-likeness and toxicity for FTO protein inhibitor candidates. Molecular docking was using Pyrx v0.8, AutoDock 4.2.6 by AutoDockTools 1.5.7, and BIOVIA Discovery studio client 2025 as visualization tools. &lt;strong&gt;Results:&lt;/strong&gt; This study showed 9 bioactive compounds from &lt;em&gt;Moringa oleifera&lt;/em&gt; fruit is bioavailable and safe for oral drugs according to Lipinski Rule of 5 (RO5) and Oral Rat Acute Toxicity (LD50). Molecular docking results showed riboflavin is the most potential compound as FTO protein inhibitor as its strongest affinity and interaction in active site compared to FTO protein native ligands 3-methylthymidine (DT). &lt;strong&gt;Conclusion: &lt;/strong&gt;Therefore, &lt;em&gt;Moringa oleifera &lt;/em&gt;fruit is potential for SO therapy candidates through regulation of FTO protein activity.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">450</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Mila Citrawati&lt;sup&gt;1,2&lt;/sup&gt;, Assyafiya Salwa&lt;sup&gt;1*&lt;/sup&gt;, Yuni Setyaningsih&lt;sup&gt;1,2&lt;/sup&gt;, Cut Fauziah&lt;sup&gt;1&lt;/sup&gt;, Tiwuk Susantiningsih&lt;sup&gt;1,2&lt;/sup&gt; &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Faculty of Medicine, Universitas Pembangunan Nasional Veteran Jakarta, South Jakarta, Jakarta, 12450, INDONESIA&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Research Centre for Moringa Oleifera, Universitas Pembangunan Nasional Veteran Jakarta, South Jakarta, Jakarta, 12450, INDONESIA&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Engla Merizka</style></author><author><style face="normal" font="default" size="100%">Septelia Inawati Wanandi</style></author><author><style face="normal" font="default" size="100%">Budiman Bela</style></author><author><style face="normal" font="default" size="100%">Silvia Tri Widyaningtyas</style></author><author><style face="normal" font="default" size="100%">Fadilah Fadilah</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Comparative Analysis Molecular Simulation IL6R Alpha with TCZ and HIL6: Mechanism in Inflammatory Responses</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Binding affinity</style></keyword><keyword><style  face="normal" font="default" size="100%">HIL6</style></keyword><keyword><style  face="normal" font="default" size="100%">IL6</style></keyword><keyword><style  face="normal" font="default" size="100%">IL6R</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular dynamics.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2024</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">16</style></volume><pages><style face="normal" font="default" size="100%">738-743</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;&lt;!-- x-tinymce/html --&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Introduction:&lt;/strong&gt; In cases of inflammation, there is typically a connection between IL6R and HIL6. If there is an excessive level of activity in this connection, it can lead to a cytokine storm. Tocilizumab (TCZ), also known as AntiIL-6R, is a biologic drug that is a recombinant humanized monoclonal antibody. It is specifically used to treat inflammatory and autoimmune diseases that are associated with cytokine storms. &lt;strong&gt;Method:&lt;/strong&gt; This study utilizes in silico analysis to assess the ability of TCZ, a biosimilar, to block IL6R and compares it to the blocking effect of HIL6. Validation of the 3D structure of the IL6R was performed using a Ramachandran plot. &lt;strong&gt;Results&lt;/strong&gt;: The IL6R alpha subunit had a validation score of 97.86%, while the IL6R beta subunit had a validation value of 95.54%. The molecular docking analysis reveals that the TCZ light chain forms a complex with IL6R, yielding a docking score of -16.4 kcal mol-1. Similarly, the TCZ heavy chain also interacts with IL6R, resulting in a docking value of -15.5 kcal mol-1. Notably, both scores are higher than the docking score of the control, which involves IL6R with HIL6, measuring -12.5 kcal mol- 1. The root mean square fluctuation (RMSF) value of the IL6R protein in the presence of TCZ (Tocilizumab) is consistently below 2, with an average range of 0.04-0.09. &lt;strong&gt;Conclusion&lt;/strong&gt;: The affinity between IL6R and TCZ is greater than the affinity between IL6R and HIL6.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">738</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;!-- x-tinymce/html --&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Engla Merizka&lt;sup&gt;1,2&lt;/sup&gt;, Septelia Inawati Wanandi&lt;sup&gt;3,4*&lt;/sup&gt;, Budiman Bela&lt;sup&gt;5,6&lt;/sup&gt;, Silvia Tri Widyaningtyas&lt;sup&gt;6&lt;/sup&gt;, Fadilah Fadilah&lt;sup&gt;7,8 &lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Doctoral Program in Biomedical Science, Faculty of Medicine,&amp;nbsp;Universitas Indonesia, 10430 Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&amp;nbsp;&lt;sup&gt;2&lt;/sup&gt;Diploma Programs for Medical Technology, Faculty of Pharmacy and Science, Universitas Muhammadiyah Prof.DR.HAMKA, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Molecular Biology and Proteomics Core Facilities, Indonesian Medical Education and Research Institute, Faculty of Medicine, Universitas Indonesia, Jakarta 10430, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Biochemistry and Molecular Biology, Faculty of Medicine, Universitas Indonesia, Jakarta 10430, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Microbiology, Faculty of Medicine,&amp;nbsp;Universitas Indonesia, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Virology and Cancer&amp;nbsp;Pathobiology Research Center, Faculty of Medicine, Universitas Indonesia, 10430 Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Medical Chemistry, Faculty of Medicine,&amp;nbsp;Universitas Indonesia, Jalan Salemba Raya number 4, Jakarta 10430, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Bioinformatics Core Facilities -&amp;nbsp;IMERI, Faculty of Medicine, Universitas Indonesia, Jalan Salemba Raya number 6, Jakarta 10430, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Evul Winoto Lukito</style></author><author><style face="normal" font="default" size="100%">Dyah Iswantini</style></author><author><style face="normal" font="default" size="100%">Budhi Antariksa</style></author><author><style face="normal" font="default" size="100%">Mohamad Rafi</style></author><author><style face="normal" font="default" size="100%">Setyanto Tri Wahyudi</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Screening and Identification of Metabolites from Sambiloto (Andrographis paniculata) Ethanol Extract for Pro-Inflammatory Cytokines Inhibitory through In Silico and In Vitro Approaches</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">LC-MS/MS</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Pro-inflammatory cytokines</style></keyword><keyword><style  face="normal" font="default" size="100%">Sambiloto</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">February 2024</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">16</style></volume><pages><style face="normal" font="default" size="100%">131-140</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Objective: &lt;/strong&gt;Andrographis paniculata has long been a traditional medicinal plant in Indonesia. This study is intended to evaluate the anti-pro-inflammatory cytokines of 98% ethanol extract of A. paniculata by &lt;em&gt;in vitro&lt;/em&gt; and &lt;em&gt;in silico&lt;/em&gt; approaches. Inhibition of pro-inflammatory cytokines is also one of the therapies in treating COVID-19. &lt;strong&gt;Methods: &lt;/strong&gt;The molecular docking approach was utilized as a first screening to evaluate the potential for suppression of macrophage cell activation; an ADMET prediction test was performed to determine the pharmacological, pharmacokinetic, and toxicity as a therapeutic target. TNF-α, IL-1ß, and IL-6 levels were measured using an ELISA method to investigate anti-cytokine pro-inflammatory activity in LPS-induced RAW 264.7 macrophage cells. LC-MS/MS was used to identify additional metabolite compounds. &lt;strong&gt;Results:&lt;/strong&gt; Ethanol extract containing particular metabolites 14-Deoxyandrographoside and 14-Deoxy-17-hydroxyandrographolide inhibited TNF-α and IL-1β by 100% and IL-6 by 85.59%, respectively. While compared to the Dexamethasone molecule as a positive control, preliminary screening and ADMET prediction for the metabolite compound 14-Deoxyandrographoside exhibited relatively high binding stability to the CD14 receptor by -7.5 kcal/mol and was safe against various ADMET indications. &lt;strong&gt;Conclusions: &lt;/strong&gt;This study reveals that the compound 14-Deoxyandrographoside in pure ethanol extract is a potential anticytokine agent candidate for treating pro-inflammatory cytokines, including COVID-19 infection.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">131</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Evul Winoto Lukito&lt;sup&gt;1&lt;/sup&gt;, Dyah Iswantini&lt;sup&gt;1,2&lt;/sup&gt;*, Budhi Antariksa&lt;sup&gt;3&lt;/sup&gt;, Mohamad Rafi&lt;sup&gt;1,2&lt;/sup&gt;, Setyanto Tri Wahyudi&lt;sup&gt;2,4&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University, Bogor 16680, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Tropical Biopharmaca Research Center, IPB University, Bogor 16128, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pulmonology and Respiratory Medicine, Faculty of Medicine, Universitas Indonesia, Persahabatan Hospital, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Physics, Faculty of Mathematics and Natural Sciences, IPB University, Bogor 16680, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ahmad Yanuar Safri</style></author><author><style face="normal" font="default" size="100%">Salim Harris</style></author><author><style face="normal" font="default" size="100%">Putera Dewa Haryono</style></author><author><style face="normal" font="default" size="100%">Ariane Benina Budiwan</style></author><author><style face="normal" font="default" size="100%">Eugenia Isadora</style></author><author><style face="normal" font="default" size="100%">Aisyah Fitriannisa Prawiningrum</style></author><author><style face="normal" font="default" size="100%">Fadilah Fadilah</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Unveiling Potential Therapies: Molecular Docking Analysis of CAMKK2 and Its Mutant Variants with CAMKK2 Inhibitors in Indonesian Patients with HIV-Sensory Neuropathy</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">CAMKK2 inhibitors</style></keyword><keyword><style  face="normal" font="default" size="100%">HIV-SN</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">mutation</style></keyword><keyword><style  face="normal" font="default" size="100%">SNP</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">February 2024</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">16</style></volume><pages><style face="normal" font="default" size="100%">46-51</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;HIV sensory neuropathy (HIV-SN) is one among many complications that impair patients’ quality of life. Studies in Asian and African populations found that single nucleotide polymorphisms (SNPs) of calcium/ calmodulin-dependent protein kinase 2 (CAMKK2) influence the risk of HIV-SN. This study attempts to explain the influence of CAMKK2 mutations on HIV SN by studying bioinformatics interactions between CAMKK2, its mutants, and their inhibitors by molecular docking with AutoDock in order to observe their interactions with CAMKK2 inhibitors. Results showed that CAMKK2’s binding energy with its native ligand (ATP) is stronger than the mutant variant of CAMKK2MT85 and CAMKK2MT363. Conversely, interaction between CAMKK2 and its inhibitors (KN-93, STO-609, and trifluoperazine) have the lowest mean binding energy compared to CAMKK2MT85 and CAMKK2MT363. This indicates that the mutant variants have weaker interactions with the native ligand and the inhibitors, therefore disrupting the normal function of CAMKK2, its interactions with the inhibitors, while increasing the likelihood of HIV-SN.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">46</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Ahmad Yanuar Safri&lt;sup&gt;1,2,3,&lt;/sup&gt;*, Salim Harris&lt;sup&gt;2,3&lt;/sup&gt;, Putera Dewa Haryono&lt;sup&gt;2,3&lt;/sup&gt;, Ariane Benina Budiwan&lt;sup&gt;2,3&lt;/sup&gt;, Eugenia Isadora&lt;sup&gt;2,3&lt;/sup&gt;, Aisyah Fitriannisa Prawiningrum&lt;sup&gt;4&lt;/sup&gt;, Fadilah Fadilah&lt;sup&gt;4&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Doctoral Program in Biomedical Sciences, Faculty of Medicine Universitas INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Bioinformatics Core Facilities IMERI, Medical Chemistry Department, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Faculty of Medicine Universitas Indonesia, Jakarta, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tsolanku Sidney Maliehe</style></author><author><style face="normal" font="default" size="100%">Tlou Nelson Selepe</style></author><author><style face="normal" font="default" size="100%">Nokuthula Nomusa Mthembu</style></author><author><style face="normal" font="default" size="100%">Jabulani Siyabonga Shandu</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Antibacterial and Anti-quorum Sensing Activities of Erianthemum dregei`s Leaf Extract and Molecular Docking</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Anti-quorum sensing activity</style></keyword><keyword><style  face="normal" font="default" size="100%">Antibacterial activity</style></keyword><keyword><style  face="normal" font="default" size="100%">Erianthemum dregei</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">April 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">279-285</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;The increasing incidence of multi-drug resistance among pathogens has propelled researchers to search for novel antimicrobial and anti-quorum sensing agents characterised by different mechanisms and high potency. &lt;strong&gt;Objective: &lt;/strong&gt;The study aimed at investigating the antibacterial and antiquorum sensing properties of compounds from &lt;em&gt;Erianthemum dregei&lt;/em&gt; and their molecular interactions with the target proteins. &lt;strong&gt;Methods: &lt;/strong&gt;The methanolic leaf extract from E. dregei was evaluated for its chemical composition and antibacterial activity using gas chromatography-mass spectrophotometry (GC-MS) and micro-dilution method, respectively. The inhibition of violacein production in &lt;em&gt;Chromobacterium violaceum&lt;/em&gt; (ATCC 07) was assayed as anti-quorum sensing activity using micro-dilution method. The molecular docking of the GC-MS ligands and penicillin‑binding protein 2x (PDP2) and CviR was executed using AutoDock Vina. &lt;strong&gt;Results: &lt;/strong&gt;The two volatile compounds namely phytol (93.58%) and 3-tetradecyn-1-ol (6.42%) were shown by GC-MS. The extract exhibited antibacterial activity against the selected bacterial strains with minimum inhibitory concentration (MIC) values ranging from 1.56 to 3.125 mg/mL. The maximum inhibition of violacein production of 53.93% was observed at 1.56 mg/mL. Both compounds had docking scores of more than -6.0 kcal/mol against the target proteins. &lt;strong&gt;Conclusion: &lt;/strong&gt;The results revealed that the extract is a potential source of antibacterial and anti-quorum sensing compounds and thus can have pharmacological applicability.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Original Article </style></work-type><section><style face="normal" font="default" size="100%">279</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Tsolanku Sidney Maliehe&lt;sup&gt;1,*&lt;/sup&gt;, Tlou Nelson Selepe&lt;sup&gt;1&lt;/sup&gt;, Nokuthula Nomusa Mthembu&lt;sup&gt;2&lt;/sup&gt;, Jabulani Siyabonga Shandu&lt;sup&gt;2&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Water and Sanitation, University of Limpopo, Private bag X1106, Polokwane, 0727, SOUTH AFRICA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Biochemistry and Microbiology, University of Zululand, KwaDlangezwa 3886, SOUTH AFRICA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Emranul Kabir</style></author><author><style face="normal" font="default" size="100%">M. R. O. Khan Noyon</style></author><author><style face="normal" font="default" size="100%">Monir Uzzaman</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Computational and Pharmacokinetic Investigation of Some Heterocyclic Amide Derivatives as Cyclooxygenase Inhibitors: An In-Silico Approach</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ADMET.</style></keyword><keyword><style  face="normal" font="default" size="100%">Cyclooxygenase (COX)</style></keyword><keyword><style  face="normal" font="default" size="100%">Heterocyclic amide derivatives</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">March 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">194-207</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;The two most significant as well as historically important non-steroidal and anti-inflammatory medications (NSAIDs), aspirin and ibuprofen, are frequently used to treat fever, pain, and inflammation. By blocking the activity of cyclooxygenase (COX), it can prevent the production of prostaglandin. In an effort to examine the physiochemical and biological properties of some heterocyclic amide derivatives and quantum mechanical computations have been used to analyze the compounds. To clarify the thermochemical, molecular orbital, and equilibrium geometrical features in the gas phase, density functional theory (DFT) with the B3LYP/6- 31G basis set has been used. Binding affinities and modes of heterocyclic amide analogs have been investigated on human cyclooxygenase (COX-1 and COX-2) proteins (6Y3C and 5F19) using molecular docking as well as nonbonding interactions. Results from geometry and thermochemical analysis support the chemical sustainability of all the structures. Most of the compounds exhibited a significant affinity for binding to the receptor protein (5F19) than the standard drugs aspirin and ibuprofen. The improved pharmacokinetic features of certain derivatives with reduced acute oral toxicity were revealed by ADMET prediction. Overall, four heterocyclic amide analogs 3-6 were found to be more efficient in inhibiting COX- 2 (5F19) than COX-1 (6Y3C), suggesting that they may be useful as COX-2-related inflammation drug candidates.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">194</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;strong&gt;Emranul Kabir&lt;sup&gt;1,2*&lt;/sup&gt;, M. R. O. Khan Noyon&lt;sup&gt;1&lt;/sup&gt;, Monir Uzzaman&lt;sup&gt;1&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Science, University of Chittagong, Chittagong-4331, BANGLADESH.&lt;/p&gt;

&lt;p&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Electrical and Electronic Engineering, Faculty of Science, International Islamic University, Chittagong- 4318, BANGLADESH.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Rauza Sukma Rita</style></author><author><style face="normal" font="default" size="100%">Fadhli Ranuharja</style></author><author><style face="normal" font="default" size="100%">Musa Ghufron</style></author><author><style face="normal" font="default" size="100%">Agariadne Dwinggo Samala</style></author><author><style face="normal" font="default" size="100%">Herland Satriawan</style></author><author><style face="normal" font="default" size="100%">Muhammad Raffi Ghifari</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Riso Sari Mandeli</style></author><author><style face="normal" font="default" size="100%">Amalia Putri Lubis</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Maksim Rebezov</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Computational Evaluation of the Potential of Salicylate Compound from Syzygium aromaticum on Carbonic Anhydrase I as a Gastric Acid Stimulant</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Carbonic Anhydrase I</style></keyword><keyword><style  face="normal" font="default" size="100%">Gastric Acid Stimulant</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Salicylate</style></keyword><keyword><style  face="normal" font="default" size="100%">Syzygium Aromaticum.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">489-493</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;This article explores the potential of the salicylate compound (&lt;em&gt;Syzygium Aromaticum&lt;/em&gt;) as a stimulant for Carbonic Anhydrase I in gastric acid secretion, using a computational approach. The research methods include molecular modeling with Pymol and Pyrex, determination of compound structure and interactions with Protein Plus, and examination of physicochemical properties using the Lipinski Rule. The results show that the Binding Affinity of salicylate with Carbonic Anhydrase I ranges from -7.3 to -6.5, with RMSD values of 0, 2.102, and 2.212, indicating good modeling quality. The interaction between salicylate and Carbonic Anhydrase I is also supported by the findings from Protein Plus. Furthermore, the salicylate compound complies with the Lipinski Rule, with a molecular weight of 137, 1 hydrogen bond donor, 3 hydrogen bond acceptors, a log P value of 0.34, and a molar reactivity of 34.16. This study highlights the prospect of salicylate as a potential modulator of Carbonic Anhydrase I.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article </style></work-type><section><style face="normal" font="default" size="100%">489</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Rahadian Zainul&lt;sup&gt;1,2,*&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;1&lt;/sup&gt;, Rauza Sukma Rita&lt;sup&gt;3&lt;/sup&gt;, Fadhli Ranuharja&lt;sup&gt;4&lt;/sup&gt;, Musa Ghufron&lt;sup&gt;5&lt;/sup&gt;, Agariadne Dwinggo Samala&lt;sup&gt;6&lt;/sup&gt;, Herland Satriawan&lt;sup&gt;7&lt;/sup&gt;, Muhammad Raffi Ghifari&lt;sup&gt;8&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;9&lt;/sup&gt;, Riso Sari Mandeli&lt;sup&gt;10&lt;/sup&gt;, Amalia Putri Lubis&lt;sup&gt;1&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;11,12&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;13&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;14,15&lt;/sup&gt;, ANM Ansori&lt;sup&gt;11,12,13&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Biochemistry, Faculty of Medicine, Universitas Andalas, Padang, INDONESIA. 4Electrical Department, Engineering Faculty, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Public Health and Community Medicine, Faculty of Medicine, Universitas Muhammadiyah Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Electronic Department, Engineering Faculty, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Institute of Ocean and Earth Sciences, Advanced Studies Complex, Universiti Malaya, 50603, Lembah Pantai, Kuala Lumpur, MALAYSIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Department of Radiology, Universitas Awalbros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;14&lt;/sup&gt;Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;15&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Chairul A. Nidom</style></author><author><style face="normal" font="default" size="100%">Arif N. M. Ansori</style></author><author><style face="normal" font="default" size="100%">Astria N. Nidom</style></author><author><style face="normal" font="default" size="100%">Setyarina Indrasari</style></author><author><style face="normal" font="default" size="100%">Reviany V. Nidom</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Curcumin from Curcuma longa L. as Dual Inhibitors Against Indonesian SARS-CoV-2 Isolates: A Molecular Docking Study</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">COVID-19</style></keyword><keyword><style  face="normal" font="default" size="100%">Curcumin</style></keyword><keyword><style  face="normal" font="default" size="100%">Indonesia</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">SARS-CoV-2</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">March 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">228-232</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;COVID-19 has become a global pandemic since 2020. The search for promising drugs based on the abundant herbal ingredients in Indonesia is one of the breakthroughs. Curcumin is a chemical compound with various potentials such as antioxidant, anti-inflammatory and antiviral. We conducted a molecular docking analysis to determine the potential of curcumin against SARS-CoV-2 non-structural and structural proteins, such as the main protease and spike protein. This study used the compound of curcumin (PubChem CID: 969516) from &lt;em&gt;Curcuma longa&lt;/em&gt; L. or turmeric and two Indonesian SARS-CoV-2 isolates that have been deposited in the GISAID database (hCoV-19/Indonesia/JI-PNF-217315/2021 - EPI_ ISL_12777089 or lineage B.1.617.2 and hCoV-19/Indonesia/JI-PNF-211373/2021 - EPI_ISL_6425649 or lineage B.1.470). In addition, we used molnupiravir (PubChem CID: 145996610) as a drug control. We performed molecular docking analysis with PyRx software 0.9.9 (academic license) and visualization of molecular docking results with PyMOL software 2.5.4 (academic license). The results of this study found that curcumin had good potential against main protease and spike protein compared to the drug (control). In summary, we suggested that curcumin is a potential drug candidate against SARS-CoV-2. However, there is a need for future wet laboratory-based pre-clinical research such as &lt;em&gt;in vitro&lt;/em&gt; and &lt;em&gt;in vivo.&lt;/em&gt;&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">228</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;strong&gt;Chairul A. Nidom&lt;sup&gt;1,2*&lt;/sup&gt;, Arif N. M. Ansori&lt;sup&gt;1&lt;/sup&gt;, Astria N. Nidom&lt;sup&gt;1,3&lt;/sup&gt;, Setyarina Indrasari1, Reviany V. Nidom&lt;sup&gt;1&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Professor Nidom Foundation, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, INDONESIA. 3Faculty of Medicine, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Bhairav Kumar Pathak</style></author><author><style face="normal" font="default" size="100%">Kamlesh M. Palandurkar</style></author><author><style face="normal" font="default" size="100%">Meenakshi Singh</style></author><author><style face="normal" font="default" size="100%">Anshuman Trigunayat</style></author><author><style face="normal" font="default" size="100%">Amit Singh</style></author><author><style face="normal" font="default" size="100%">Reena Giri</style></author><author><style face="normal" font="default" size="100%">Kiran Rajendra Giri</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Evaluation of In vivo Analgesic and Anti-inflammatory Activity of Oroxyulum indicum, Baicalein, Chrysin with Phytochemical Analysis and Molecular Docking Study</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Baicalein</style></keyword><keyword><style  face="normal" font="default" size="100%">Chrysine</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Oroxylum indicum</style></keyword><keyword><style  face="normal" font="default" size="100%">TNF alpha.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">October 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">811-822</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background&lt;/strong&gt;: &lt;em&gt;Oroxyulum indicum &lt;/em&gt;(OIE) is a native medicinal plant that has been widely employed in Ayurvedic medicine for thousands of years. Though studies have been published citing the analgesic and anti-inflammatory activity of &lt;em&gt;Oroxyulum indicum&lt;/em&gt; and chrysin and Baicalein, there has been no comparative study comparing their activittes and confirming them with molecular docking results. Molecular docking study of two phytochemicals Chrysin (PubChem CID 5281607) and Baicalein (PubChem CID 5281605) into the active sites of cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). Evaluation and validation of Anti-inflammatory and Analgesic effects of a methanolic extract of the stem bark of Oroxylum indicum and its two constituents Chrysin and Baicalein in Charles foster rats with analysis of the phytoconstituent of &lt;em&gt;Oroxyulum indicum &lt;/em&gt;through HRMS analysis. &lt;strong&gt;Methodology: &lt;/strong&gt;UHPLC-HRMS/MS analyses were performed on a Dionex Ultimate 3000 RS Series UHPLC system combined with a Q Exactive Plus High-Resolution Accurate Mass Spectrometry System. Hot plate and Tal flick model are used for screening of analgesic activity. TNF-alpha and IL-6 inflammatory markers were examined. Carrageenan model is used for antiinflammatory analysis. &lt;strong&gt;Result: &lt;/strong&gt;Interesting results has been obtained in the docking studies of Chrysin and Baicalein with COX-1 (PDB ID: 1EQG). The hydrogen bond interaction established between the Chrysin and Baicalein with the important amino acid, includes Arg 120, Tyr 355, Ser 530, Met 522 (Figure 1). The binding free energy of the Chrysin and Baicalein with target COX-1 was found to be -7.88 and -7.26 Kcal/mol. &lt;strong&gt;Conclusion:&lt;/strong&gt; There is marked reduction in the TNF Alpha expression in the OIE group which is followed by Baicalein and Chrysine. The Baicalein group shows the most marked cumulative increase in reaction time for tail flick among all the groups of the intervention group followed by Chrysine and OIE.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">811</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Bhairav Kumar Pathak&lt;sup&gt;1&lt;/sup&gt;, Kamlesh M. Palandurkar&lt;sup&gt;2&lt;/sup&gt;, Meenakshi Singh&lt;sup&gt;3&lt;/sup&gt;, Anshuman Trigunayat&lt;sup&gt;4&lt;/sup&gt;, Amit Singh&lt;sup&gt;5&lt;/sup&gt;, Reena Giri&lt;sup&gt;6&lt;/sup&gt;, Kiran Rajendra Giri&lt;sup&gt;7,*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Junior Resident, Department of Pharmacology, IMS, BHU, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Associate Professor, Department of Biochemistry, IMS, BHU, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Assistant Professor, Medicinal Chemistry Department, Faculty of Ayurveda, IMS, BHU, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Professor, Department of Pharmacology, IMS, BHU, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Professor, Department of Pharmacology, IMS, BHU, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Professor, Department of Pharmacology, GMC, Akola, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Associate Professor, Department of Pharmacology, IMS, BHU, INDIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Linda Rosalina</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Okta Suryani</style></author><author><style face="normal" font="default" size="100%">Muhammad Arya Ghifari</style></author><author><style face="normal" font="default" size="100%">Amalia Putri Lubis</style></author><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Riso Sari Mandeli</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Maksim Rebezov</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In Silico Study on the Inhibition of Sitogluside from Clove Plant (Syzygium aromaticum) on Interleukin 2 in B and T Cell Proliferation</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Cell Proliferation</style></keyword><keyword><style  face="normal" font="default" size="100%">Interleukin-2</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Sitogluside</style></keyword><keyword><style  face="normal" font="default" size="100%">Syzygium.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">575-580</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;This research discusses an in-silico study of sitogluside found in the clove plant (&lt;em&gt;Syzygium aromaticum&lt;/em&gt;) as a potential inhibitor of B and T cell proliferation through interaction with Interleukin-2. This study utilizes methods such as Swiss Target Prediction, Pymol, Pyrex, Protein Plus, and Lipinski's Rule to predict the biological activity and pharmacokinetic characteristics of sitogluside. From the docking simulation results, sitogluside exhibited strong interactions with interleukin-2 with RMSD values of 0, 1.637, and 2.299, and Binding Affinities of -5.7, -5.5, and -5.5, indicating its potential effectiveness as an inhibitor. In addition, sitogluside fulfills Lipinski's rule with a molecular mass of 520, 4 hydrogen bond donors and acceptors, a log P value of 2.3, and a molar reactivity of 133, indicating a high potential for good bioavailability in biological systems. These results suggest that sitogluside from the clove plant holds potential as a new therapy in inhibiting B and T cell proliferation, however further research is needed to validate these findings and explore its potential in clinical treatments.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">575</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Linda Rosalina&lt;sup&gt;1&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;2&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;3&lt;/sup&gt;, Okta Suryani&lt;sup&gt;3&lt;/sup&gt;, Muhammad Arya Ghifari&lt;sup&gt;4&lt;/sup&gt;, Amalia Putri Lubis&lt;sup&gt;3&lt;/sup&gt;, Rahadian Zainul&lt;sup&gt;3&lt;/sup&gt;,*, Riso Sari Mandeli&lt;sup&gt;5&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;6,7&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;8&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;9,10&lt;/sup&gt;, ANM Ansori&lt;sup&gt;6,7,8&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Makeup and Beauty, Faculty of Tourism and Hospitality, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Radiology Engineering, Universitas Awalbros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA. 7Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Agus Suprijono</style></author><author><style face="normal" font="default" size="100%">Riso Sari Mandeli</style></author><author><style face="normal" font="default" size="100%">Asri Peni Wulandari</style></author><author><style face="normal" font="default" size="100%">Dony Novaliendry</style></author><author><style face="normal" font="default" size="100%">Ritmaleni</style></author><author><style face="normal" font="default" size="100%">Linda Rosalina</style></author><author><style face="normal" font="default" size="100%">Muhammad Arya Ghifari</style></author><author><style face="normal" font="default" size="100%">Amalia Putri Lubis</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Maksim Rebezov</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In Silico Study on the Potential of Guaiacol Extract from Green Tea (Camellia sinensis) as a Stimulant for Carbanoic Anhydrase II in Renal Tubular Acidosis</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Camellia sinensis.</style></keyword><keyword><style  face="normal" font="default" size="100%">Carbanoic Anhydrase II</style></keyword><keyword><style  face="normal" font="default" size="100%">Guaiacol</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Renal Tubular Acidosis</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">494-499</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;This study explores the potential of Guaiacol, a green tea extract from &lt;em&gt;Camellia &lt;/em&gt;sinensis, as a stimulant in renal tubular acidosis through &lt;em&gt;in-silico&lt;/em&gt; investigation on the Carbanoic Anhydrase II enzyme. Utilizing comprehensive computational tools including PyMOL, PyRx, Protein Plus, and the Lipinski's Rule of Five, a detailed examination of the molecular structure and its interactions with the target enzyme was conducted. The results from Protein Plus revealed interactions between Guaiacol and Carbanoic Anhydrase II. Quantitative parameters were determined with Binding Affinity values of -5, -4.7, and -4.5, along with RMSD values of 0, 0.956, and 1.412. The Lipinski's Rule of Five was employed to evaluate the compound's drug-like properties, with the findings indicating a molecular weight of 124, one hydrogen bond donor, two hydrogen bond acceptors, a log P of 1.4, and a molar reactivity of 34.65. Overall, these findings suggest that Guaiacol holds promising therapeutic potential in the treatment of renal tubular acidosis.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article </style></work-type><section><style face="normal" font="default" size="100%">494</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Rahadian Zainul&lt;sup&gt;1,9,*&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;1&lt;/sup&gt;, Agus Suprijono&lt;sup&gt;2&lt;/sup&gt;, Riso Sari Mandeli&lt;sup&gt;3&lt;/sup&gt;, Asri Peni Wulandari&lt;sup&gt;4&lt;/sup&gt;, Dony Novaliendry&lt;sup&gt;5&lt;/sup&gt;, Ritmaleni6, Linda Rosalina&lt;sup&gt;7&lt;/sup&gt;, Muhammad Arya Ghifari&lt;sup&gt;8&lt;/sup&gt;, Amalia Putri Lubis&lt;sup&gt;1&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;10,11&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;12&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;13,14&lt;/sup&gt;, ANM Ansori&lt;/strong&gt;&lt;sup&gt;&lt;strong&gt;10,12&lt;/strong&gt; &lt;/sup&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmacy, Sekolah Tinggi Ilmu Farmasi Yayasan Pharmasi Semarang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Environmental and Policy Researcher, Environmental Science Program Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Electronic Department, Engineering Faculty, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Laboratory of Medicinal Chemistry, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada, North Sekip, Yogyakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Makeup and Beauty, Faculty of Tourism and Hospitality, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;14&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Gemini Alam</style></author><author><style face="normal" font="default" size="100%">Khoirun Nisyak</style></author><author><style face="normal" font="default" size="100%">Trisna Kumala Sari</style></author><author><style face="normal" font="default" size="100%">Muhammad Arya Ghifari</style></author><author><style face="normal" font="default" size="100%">Ritbey Ruga</style></author><author><style face="normal" font="default" size="100%">Putri Azhari</style></author><author><style face="normal" font="default" size="100%">Romadhon</style></author><author><style face="normal" font="default" size="100%">Himmatul Barroroh</style></author><author><style face="normal" font="default" size="100%">Riso Sari Mandeli</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Maksim Rebezov</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Interaction of Cynaroside from Orthosiphon Aristatus Plant Extract on TNF Alpha as a Stimulant in Malaria and Asthma</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Asthma.</style></keyword><keyword><style  face="normal" font="default" size="100%">Cynaroside</style></keyword><keyword><style  face="normal" font="default" size="100%">Malaria</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Orthosiphon aristatus</style></keyword><keyword><style  face="normal" font="default" size="100%">TNF Alpha</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">581-586</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;This research aims to investigate the interaction between cynaroside, a natural compound found in &lt;em&gt;Orthosiphon aristatus&lt;/em&gt; plant extract, with TNF Alpha as a stimulant in the context of malaria and asthma. The research method involved an&lt;em&gt; in-silico &lt;/em&gt;approach using software such as Pymol, PyRx, Protein Plus, and the Lepinski Rule. The results of the study showed that cynaroside has a significant interaction with TNF Alpha, as indicated by high Binding Affinity values of -9.6, -9.3, and -9.2. Analysis using Protein Plus confirmed the interaction between cynaroside and TNF Alpha. Additionally, evaluation using the Lepinski Rule of Five revealed that cynaroside has physicochemical characteristics suitable as a potential drug compound, with a mass of 448, hydrogen bond donors of 7, hydrogen bond acceptors of 11, log p -0.401, and molar reactivity of 105.2. These findings provide a deeper understanding of the potential of cynaroside in regulating the immune response to malaria and asthma through its interaction with TNF Alpha. These results can serve as an important basis for further research in the development of more targeted and effective therapies for both of these diseases&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">581</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Rahadian Zainul&lt;sup&gt;1,11,*&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;1&lt;/sup&gt;, Gemini Alam&lt;sup&gt;2&lt;/sup&gt;, Khoirun Nisyak&lt;sup&gt;3&lt;/sup&gt;, Trisna Kumala Sari&lt;sup&gt;1&lt;/sup&gt;, Muhammad Arya Ghifari&lt;sup&gt;4&lt;/sup&gt;, Ritbey Ruga&lt;sup&gt;5&lt;/sup&gt;, Putri Azhari&lt;sup&gt;6&lt;/sup&gt;, Romadhon&lt;sup&gt;7&lt;/sup&gt;, Himmatul Barroroh&lt;sup&gt;8&lt;/sup&gt;, Riso Sari Mandeli&lt;sup&gt;9&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;10&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;12,13&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;14&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;15,16&lt;/sup&gt;, ANM Ansori&lt;sup&gt;12,13,14&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Pharmacognosy-Phytochemistry Laboratory, Faculty of Pharmacy, Universitas Hasanuddin, Makassar, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmacy, Faculty of Health Science, Universitas Anwar Medika, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Mulawarman, Samarinda, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Department of Agricultural Technology, Faculty of Agricultural Technology, Universitas Andalas, Padang, West Sumatra, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Fisheries Product Technology Study Program, Universitas Diponegoro Semarang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Chemistry Department, Faculty of Science and Technology, Universitas Islam Maulana Malik Ibrahim, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Department of Radiology, Universitas Awalbros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;14&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;15&lt;/sup&gt;Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;16&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Herland Satriawan</style></author><author><style face="normal" font="default" size="100%">Teresa Liliana Wargasetia</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Amalia Putri Lubis</style></author><author><style face="normal" font="default" size="100%">Bahrun</style></author><author><style face="normal" font="default" size="100%">Riso Sari Mandeli</style></author><author><style face="normal" font="default" size="100%">Muhammad Thoriq Albari</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Maksim Rebezov</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Docking of Thaflavine from Camellia sinensis in Inhibiting B-Cell Lymphoma Through BCl2 Apoptosis Regulator: An In Silico Study</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Apoptosis Regulator BCl2</style></keyword><keyword><style  face="normal" font="default" size="100%">B-cell Lymphoma</style></keyword><keyword><style  face="normal" font="default" size="100%">Camellia sinensis.</style></keyword><keyword><style  face="normal" font="default" size="100%">In-Silico Thaflavine</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">500-505</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;This study aims to analyze the potential of Thaflavine, a compound found in green tea (&lt;em&gt;Camellia&lt;/em&gt; sinensis), as an inhibitor in inhibiting B-cell lymphoma through its interaction with the BCl2 apoptosis regulator using an &lt;em&gt;in-silico&lt;/em&gt; approach. The research methodology involved the use of software tools such as PyMOL, PyRx, Protein Plus, and the Lepinski Rule. Through molecular docking analysis using PyMOL and PyRx, the findings of this study demonstrate significant interactions between Thaflavine and BCl2, with Binding Affinity values of -5.5, -4.6, and -4.6, and RMSD values of 0, 1.436, and 2.292. The analysis using Protein Plus indicates the presence of interactions between Thaflavine and BCl2. Additionally, the analysis using the Lepinski Rule of Five reveals that Thaflavine meets the criteria as a potential drug compound, with a molecular weight of 549, 9 hydrogen bond donors, 12 hydrogen bond acceptors, a log P value of -2.5, and a molar reactivity of 119.17. The findings of this study provide important contributions to the development of therapies for B-cell lymphoma through an &lt;em&gt;in-silico&lt;/em&gt; approach. However, further research is needed for &lt;em&gt;in vitro &lt;/em&gt;and in vivo validation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article </style></work-type><section><style face="normal" font="default" size="100%">500</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Rahadian Zainul&lt;sup&gt;1,8,*&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;1&lt;/sup&gt;, Herland Satriawan&lt;sup&gt;2&lt;/sup&gt;, Teresa Liliana Wargasetia&lt;sup&gt;3&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;4&lt;/sup&gt;, Amalia Putri Lubis&lt;sup&gt;1&lt;/sup&gt;, Bahrun&lt;sup&gt;5&lt;/sup&gt;, Riso Sari Mandeli&lt;sup&gt;6&lt;/sup&gt;, Muhammad Thoriq Albari&lt;sup&gt;7&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;9,10&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;11&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;12,13&lt;/sup&gt;, ANM Ansori&lt;sup&gt;9,10,11&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Institute of Ocean and Earth Sciences, Advanced Studies Complex, University Malaya, Kuala Lumpur, MALAYSIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Faculty of Medicine, Universitas Maranatha Christian, Bandung, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Radiology, Universitas Awalbros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Doctoral student of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Hasanuddin, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Anni Faridah</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Budhi Oktavia</style></author><author><style face="normal" font="default" size="100%">Musa Ghufron</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Muhammad Raffi Ghifari</style></author><author><style face="normal" font="default" size="100%">Linda Rosalina</style></author><author><style face="normal" font="default" size="100%">Putri Azhari</style></author><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Maksim Rebezov</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Study on the Inhibition of Sinensetin Extract from Cat's Whiskers Plant (Orthosiphon aristatus) on ATP Binding Cassette Sub-Family G Member 2 in Uric Acid</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ATP Binding Cassette</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Orthosiphon aristatus</style></keyword><keyword><style  face="normal" font="default" size="100%">Sinensetin</style></keyword><keyword><style  face="normal" font="default" size="100%">Uric Acid.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">506-511</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;This study aims to investigate the potential of sinensetin, a compound found in the Cat's Whiskers plant (&lt;em&gt;Orthosiphon aristatus&lt;/em&gt;), as an inhibitor in inhibiting uric acid through its interaction with ATP Binding Cassette Sub-Family G Member 2 (ABCG2). The &lt;em&gt;in-silico &lt;/em&gt;approach was employed using software tools such as Pymol, PyRx, Protein Plus, and Lepinski Rule. The results of molecular docking analysis using PyRx demonstrated significant interactions between sinensetin and ABCG2, with Binding Affinity values of -6.8, -6.6, and -6.6, and RMSD values of 0, 0.785, and 1.379. The analysis using Protein Plus confirmed the interaction between sinensetin and ABCG2, supporting the previous docking findings. Furthermore, the evaluation of pharmacokinetic parameters using the Lepinski Rule of Five revealed that sinensetin meets the criteria as a potential drug compound, with a molecular weight of 372, no hydrogen bond donors, seven hydrogen bond acceptors, a log P value of 3.345, and a molar reactivity of 98.5. This research provides new insights into the development of uric acid therapy through an &lt;em&gt;in-silico &lt;/em&gt;approach, and these findings can serve as a basis for further research involving in vitro and in vivo validation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article </style></work-type><section><style face="normal" font="default" size="100%">506</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Anni Faridah&lt;sup&gt;1&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;2&lt;/sup&gt;, Budhi Oktavia&lt;sup&gt;2&lt;/sup&gt;, Musa Ghufron&lt;sup&gt;3&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;4&lt;/sup&gt;, Muhammad Raffi Ghifari&lt;sup&gt;5&lt;/sup&gt;, Linda Rosalina&lt;sup&gt;6&lt;/sup&gt;, Putri Azhari&lt;sup&gt;7&lt;/sup&gt;, Rahadian Zainul&lt;sup&gt;2,8,*&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;9,10&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;11&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;12,13&lt;/sup&gt;, ANM Ansori&lt;sup&gt;9,10,11&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Faculty of Tourism and Hospitality, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Public Health and Community Medicine, Faculty of Medicine, Universitas Muhammadiyah Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Radiology, Universitas Awalbros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Department of Makeup and Beauty, Faculty of Tourism and Hospitality, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Agricultural Technology, Faculty of Agricultural Technology, Universitas Andalas, Padang, West Sumatra, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Emranul Kabir</style></author><author><style face="normal" font="default" size="100%">M. R. O. Khan Noyon</style></author><author><style face="normal" font="default" size="100%">Md. Amjad Hossain</style></author><author><style face="normal" font="default" size="100%">Pranta Acharjee</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">DFT and Pharmacokinetic Study of Some Heterocyclic Aspirin Derivatives as The Cyclooxygenase Inhibitors: An In-Silico Approach</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ADMET.</style></keyword><keyword><style  face="normal" font="default" size="100%">Aspirin</style></keyword><keyword><style  face="normal" font="default" size="100%">DFT</style></keyword><keyword><style  face="normal" font="default" size="100%">Heterocyclic compound</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">January 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">1005-1021</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;Ibuprofen and aspirin are frequently used to relieve inflammation, pain, and fever. These are the two most significant non-steroidal and anti-inflammatory drugs (NSAIDs). They prevent the development of prostaglandin by blockampounds have been assessed by ibuprofen as well as quantum mechanical computations. Density functional theory (DFT) with the B3LYP/6-31G+ basis function has been used to elucidate the thermo-chemical, molecular orbital, and optimum geometrical aspects in the gas phase. Using molecular docking and non-bonding interactions, the binding affinities and behaviors of some heterocyclic aspirin analogs have been studied on human cyclooxygenase (COX-1 as well as COX-2) proteins (6Y3C and 5F19). The chemical stability of all structures is supported by geometry and thermo-chemical findings. In contrast to aspirin and ibuprofen, almost all tested analogs exhibited a substantial binding score to the receptor protein (5F19). The ADMET prediction revealed the enhanced pharmacokinetic properties of some derivatives with less acute oral toxicity. Overall, eight heterocyclic aspirin analogues 2-9 were shown to be more effective in inhibiting Cyclooxygenase-2 (5F19) than Cyclooxygenase-1 (6Y3C), indicating that they may be effective as COX-2-related inflammation therapeutic candidates.&lt;/p&gt;
&lt;quillbot-extension-portal&gt;&lt;/quillbot-extension-portal&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6s</style></issue><work-type><style face="normal" font="default" size="100%">Research Article </style></work-type><section><style face="normal" font="default" size="100%">1005</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Emranul Kabir&lt;sup&gt;1, 2,*&lt;/sup&gt;, M. R. O. Khan Noyon&lt;sup&gt;1&lt;/sup&gt;, Md. Amjad Hossain&lt;sup&gt;1&lt;/sup&gt;, Pranta Acharjee&lt;sup&gt;1&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Faculty of Science, Department of Chemistry, University of Chittagong, Chittagong, 4331, BANGLADESH.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Electrical and Electronic Engineering, International Islamic University Chittagong, Chittagong, 4318, BANGLADESH.&lt;/p&gt;
&lt;quillbot-extension-portal&gt;&lt;/quillbot-extension-portal&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Yanu Andhiarto</style></author><author><style face="normal" font="default" size="100%">Suciati</style></author><author><style face="normal" font="default" size="100%">Ersanda Nurma Praditapuspa</style></author><author><style face="normal" font="default" size="100%">Sukardiman</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In Silico Analysis and ADMET Prediction of Flavonoid Compounds from Syzigium cumini var. album on α-Glucosidase Receptor for Searching Anti-Diabetic Drug Candidates</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Flavonoid.</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">PASS</style></keyword><keyword><style  face="normal" font="default" size="100%">Pharmacokinetics</style></keyword><keyword><style  face="normal" font="default" size="100%">α-glucosidase</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">December 2022</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">736-743</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;One of the causes of death is diabetes. Anti-diabetic drugs currently available do not work optimally because some have been reported to have side effect and resistance. Objective: This study aimed to flavonoid compounds from &lt;em&gt;Syzygium cumini&lt;/em&gt; var. album with the greatest anti-diabetic activity and lower toxicity than acarbose. &lt;strong&gt;Materials and Methods:&lt;/strong&gt; This research is an&lt;em&gt; in silico&lt;/em&gt; study of nine flavonoid compounds from&lt;em&gt; Syzygium cumin&lt;/em&gt;i var. album, starting with PASS online was used to predict the activity spectrum of substances, drug-likeness prediction using DruLiTo, ADMET prediction (absorption, distribution, metabolism, excretion, and toxicity) using pkCSM online. Molecular docking was carried out by the AutoDock 4.2.6 program on α-glucosidase targeting. Visualization is done with the Discovery Studio Visualizer software.&lt;strong&gt; Results:&lt;/strong&gt; From the data obtained, D-(+)-Catechin has a high affinity for α-glucosidase with a free energy of binding (ΔG) -5.94 kcal/mol and an inhibition constant (Ki) of 44270 nm.&lt;strong&gt; Conclusion:&lt;/strong&gt; Based on the results of the study, it can be concluded that the flavonoid compounds from &lt;em&gt;Syzygium cumini&lt;/em&gt; var. album has the potential as a promising anti-diabetic drug candidate, where the best candidate is D- (+)-Catechin. However, further studies of flavonoid compounds from&lt;em&gt; Syzygium cumini&lt;/em&gt; var. album are needed.&lt;/p&gt;
&lt;quillbot-extension-portal&gt;&lt;/quillbot-extension-portal&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">736</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Yanu Andhiarto&lt;sup&gt;1&lt;/sup&gt;, Suciati&lt;sup&gt;2&lt;/sup&gt;, Ersanda Nurma Praditapuspa&lt;sup&gt;3&lt;/sup&gt;, Sukardiman&lt;sup&gt;2*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Doctoral Program, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmaceutical Sciences, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmaceutical Chemistry, Faculty of Medicine, Hang Tuah University, Surabaya, INDONESIA.&lt;/p&gt;
&lt;quillbot-extension-portal&gt;&lt;/quillbot-extension-portal&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Faratisha IFD</style></author><author><style face="normal" font="default" size="100%">Cahyono AW</style></author><author><style face="normal" font="default" size="100%">Erwan NE</style></author><author><style face="normal" font="default" size="100%">Putri AM</style></author><author><style face="normal" font="default" size="100%">Ariel DG</style></author><author><style face="normal" font="default" size="100%">Yunita KC</style></author><author><style face="normal" font="default" size="100%">Nugraha RYB</style></author><author><style face="normal" font="default" size="100%">Mardhiyyah K</style></author><author><style face="normal" font="default" size="100%">Fitri LE</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">The Potential Effect of Nigericin from Streptomyces hygroscopicus subsp. Hygroscopicus Against the Syndemic of Malaria and COVID-19 through Molecular Docking Perspective</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">COVID-19</style></keyword><keyword><style  face="normal" font="default" size="100%">Malaria</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Nigericin</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">April 2022</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">268-275</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background&lt;/strong&gt;: Malaria is a constantly challenging problem, notably in the Coronavirus Disease-19 (COVID-19) pandemic. The syndemic condition, malaria-COVID-19 co-infections, had been reported. Our previous study successfully revealed several compounds from&lt;em&gt; Streptomyces hygroscopicus s&lt;/em&gt;ubsp. Hygroscopicus, including nigericin that has both antimalarial and antiviral effects. In malaria infection, &lt;em&gt;Plasmodium falciparum &lt;/em&gt;Chloroquine Resistance Transporter (PfCRT) is the potential target for eliminating &lt;em&gt;Plasmodium.&lt;/em&gt; Meanwhile, for SARS-CoV-2 infection, MPro is an essential protein for SARS-CoV-2 survival. This research aims to examine the potential effect of nigericin towards&lt;em&gt; Plasmodium&lt;/em&gt; and SARS-CoV-2 by assessing its molecular interaction with PfCRT and MPro through molecular docking study.&lt;strong&gt; Methods: &lt;/strong&gt;The protein target PfCRT and MPro were obtained from Protein Data Bank. Nigericin and the control ligand (chloroquine and N3) were obtained from PubChem. The pharmacokinetic analysis was done using SwissADME. Specific molecular docking was conducted using PyRx 0.9 and was visualized using LigPlot and PyMOL. &lt;strong&gt;Results:&lt;/strong&gt; Nigericin has a large molecular weight, leading to the non-fulfillment of the Lipinski rule for oral administration. Through molecular docking study, the binding affinity of the Nigericin-PfCRT complex was -8.1 kcal/mol, and Nigericin-MPro was -8.6 kcal/mol. These binding affinities were stronger than the control ligand. The interaction between Nigericin-PfCRT and Nigericin-MPro share a similar pocket-site and amino acid residues as the control ligands. &lt;strong&gt;Conclusion: &lt;/strong&gt;Nigericin has potential antimalarial and anti-coronavirus effects through molecular docking perspective by assessing the binding affinity and similarity of amino acid residues compared to control. Administration of systemic route can be an option in giving nigericin.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">268</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Faratisha IFD&lt;sup&gt;1&lt;/sup&gt;, Cahyono AW&lt;sup&gt;1,2&lt;/sup&gt;, Erwan NE&lt;sup&gt;1,3&lt;/sup&gt;, Putri AM&lt;sup&gt;1,3&lt;/sup&gt;, Ariel DG&lt;sup&gt;1&lt;/sup&gt;, Yunita KC&lt;sup&gt;1&lt;/sup&gt;, Nugraha RYB&lt;sup&gt;1,4&lt;/sup&gt;, Mardhiyyah K&lt;sup&gt;1,2,5&lt;/sup&gt;, Fitri LE&lt;sup&gt;1,4&lt;/sup&gt;,*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Malaria Research Group, Faculty of Medicine, Universitas Brawijaya, Malang 65145, East Java, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Doctoral Program in Medical Science, Faculty of Medicine, Universitas Brawijaya, Malang 65145, East Java, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Master Program in Biomedical Science, Faculty of Medicine, Universitas Brawijaya, Malang 65145, East Java, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Parasitology, Faculty of Medicine, Universitas Brawijaya, 65145 Malang, East Java, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Biochemistry &amp;amp; Biomolecular, Faculty of Medicine, Universitas Brawijaya, 65145 Malang, East Java, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Intan Kris Prasetyanti</style></author><author><style face="normal" font="default" size="100%">Sukardiman</style></author><author><style face="normal" font="default" size="100%">Suharjono</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">ADMET Prediction and In silico Analysis of Mangostin Derivatives and Sinensetin on Maltase-Glucoamylase Target for Searching Anti-Diabetes Drug Candidates</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Anti-diabetes</style></keyword><keyword><style  face="normal" font="default" size="100%">Maltase-glucoamylase</style></keyword><keyword><style  face="normal" font="default" size="100%">Mangostin derivatives</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Sinensetin</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">July 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">883-889</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;Diabetes mellitus (DM) is a complex chronic disease with hyperglycemia, which is glucose levels above normal whose number of sufferers is increasing. By inhibiting the human maltase-glucoamylase enzyme which is included in the starch-digestion pathway are used to delay glucose production and thus aid in the treatment of type II diabetes.&lt;strong&gt; Aims and Methods:&lt;/strong&gt; To analyze the potential of mangostin derivatives (alpha-mangostin, betamangostin, gamma-mangostin) and sinensetin as anti-diabetes through ADMET prediction and &lt;em&gt;in silico&lt;/em&gt; tests against human maltase-glucoamylase targets using the docking method with miglitol was used as a control. &lt;strong&gt;Result:&lt;/strong&gt; The ligands ɑ, β, γ-mangostin and sinensetin have good interactions with macromolecules and form hydrogen bonds also van der Waals on the macromolecule active side of human maltase-glucoamylase. &lt;strong&gt;Conclusion: &lt;/strong&gt;The ADMET of mangostin derivatives (ɑ, β, and γ), and sinensetin can be predicted by the pkCSM online tool, and they showed good affinity on maltase-glucoamylase target compared to standard drugs like miglitol.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">883</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Intan Kris Prasetyanti&lt;sup&gt;1&lt;/sup&gt;, Sukardiman&lt;sup&gt;2,&lt;/sup&gt;*, Suharjono&lt;sup&gt;3&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Magister Program of Pharmaceutical Sciences, Faculty of Pharmacist, Airlangga University, Campus C UNAIR Jl. DR. Ir. H Soekarno Mulyorejo 60115, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmaceutical Sciences, Faculty of Pharmacist, Airlangga University, Campus C UNAIR Jl. DR. Ir. H Soekarno Mulyorejo 60115, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Practical Pharmacy, Faculty of Pharmacist, Airlangga University, Campus C UNAIR Jl. DR. Ir. H Soekarno Mulyorejo 60115, Surabaya, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Neeraj Choudhary</style></author><author><style face="normal" font="default" size="100%">Pranav Kumar Prabhakar</style></author><author><style face="normal" font="default" size="100%">Gopal L Khatik</style></author><author><style face="normal" font="default" size="100%">Subba Rao Chamakuri</style></author><author><style face="normal" font="default" size="100%">Devesh Tewari</style></author><author><style face="normal" font="default" size="100%">Ashish Suttee</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Evaluation of Acute toxicity, In-vitro, In-vivo Antidiabetic Potential of the Flavonoid Fraction of the plant Chenopodium album L</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Acute toxicity</style></keyword><keyword><style  face="normal" font="default" size="100%">Alpha-amylase</style></keyword><keyword><style  face="normal" font="default" size="100%">Antidiabetic activity</style></keyword><keyword><style  face="normal" font="default" size="100%">Chenopodium album</style></keyword><keyword><style  face="normal" font="default" size="100%">Lc-Ms</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">May 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">765-779</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;The &lt;em&gt;Chenopodium album &lt;/em&gt;L. commonly recognized as Bathua, is widely distributed globally and contains various phytoconstituents that help treat several diseases. However, until now, aerial parts' antidiabetic potential and the plant's acute toxicity at fraction level have never been established. &lt;strong&gt;Objectives: &lt;/strong&gt;To investigate the acute toxicity, the&lt;em&gt; in-vitro&lt;/em&gt;,&lt;em&gt; in-vivo&lt;/em&gt; antidiabetic potential of the plant at fraction level. &lt;strong&gt;Materials and Methods: &lt;/strong&gt;The aerial parts of the plant were fractionated into different fractions, i.e., flavonoid fraction (CAFF), tannin fraction (CATF), alkaloid fraction (CAAF), saponin fraction (CASF), and were analyzed for&lt;em&gt; in-vitro &lt;/em&gt;alpha-amylase inhibition assay. The CAFF, CATF, and CAAF were selected based on&lt;em&gt; in-vitro &lt;/em&gt;alpha-amylase inhibition assay results and were further screened for its acute toxicity and&lt;em&gt; in vivo &lt;/em&gt;antidiabetic activity using a high-fat diet and streptozotocin-induced diabetes model. The CAFF was characterized by LC-MS, and a molecular docking study was carried out. &lt;strong&gt;Results:&lt;/strong&gt; The &lt;em&gt;in-vitro &lt;/em&gt;alpha-amylase inhibition assay revealed that CAFF was found to be more potent than standard Acarbose having IC&lt;sub&gt;50&lt;/sub&gt; values 122.18 ± 1.15 and 812.83± 1.07 μg/ml, respectively. The CAFF fraction was found to possess potent antidiabetic activity in a dose-dependent manner in both in vitro and &lt;em&gt;in vivo &lt;/em&gt;diabetic models and did not produce any sign of severe toxicity. Furthermore, the bioactive CAFF fraction was characterized by LC-MS, showed the presence of quercetin 3-O-(2’’,6’’-di-O-rhamnosyl) glucoside (QRG) or quercetin 3-O-(2’’,6’’-di-Orhamnosyl) galactoside (QRGa) and quercetin 3-O-rutinoside (rutin) (QR). It is predicted from the molecular docking study that the CAFF fraction primarily acts as an alphaamylase inhibitor. &lt;strong&gt;Conclusion:&lt;/strong&gt; The CAFF fraction was found to poses dose-dependent potent antidiabetic activity and did not produce any sign of severe toxicity and primarily act as an alpha-amylase inhibitor.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">765</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Neeraj Choudhary&lt;sup&gt;1,2&lt;/sup&gt;, Pranav Kumar Prabhakar&lt;sup&gt;1&lt;/sup&gt;, Gopal L. Khatik&lt;sup&gt;1&lt;/sup&gt;, Subba Rao Chamakuri&lt;sup&gt;1&lt;/sup&gt;, Devesh Tewari&lt;sup&gt;1&lt;/sup&gt;, Ashish Suttee&lt;sup&gt;1,&lt;/sup&gt;*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;School of Pharmaceutical Sciences, Lovely Professional University, Punjab, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Faculty of Pharmaceutical Sciences, PCTE Group of Institutes, Ludhiana, Punjab, INDIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ersanda Nurma Praditapuspa</style></author><author><style face="normal" font="default" size="100%">Siswandono</style></author><author><style face="normal" font="default" size="100%">Tri Widiandani</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In Silico Analysis of Pinostrobin Derivatives from Boesenbergia pandurata on ErbB4 Kinase Target and QSPR Linear Models to Predict Drug Clearance for Searching Anti-Breast Cancer Drug Candidates</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">5-O-acylpinostrobin</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">PASS</style></keyword><keyword><style  face="normal" font="default" size="100%">Pharmacokinetic</style></keyword><keyword><style  face="normal" font="default" size="100%">Physicochemical properties</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">September 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">1143-1149</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;ErbB4 is a member of ErbB family of receptor tyrosine kinases (RTKs) and plays an important role in resistance to ErbB2 inhibitors. &lt;strong&gt;Objective:&lt;/strong&gt; This study aimed to design a pinostrobin derivative with activity as an ErbB4 inhibitor and to establish a quantitative structure-property relationship (QSPR) of pinostrobin and its derivatives to predict drug clearance. &lt;strong&gt;Materials and Methods:&lt;/strong&gt; In this research, an in silico study was conducted on pinostrobin and its derivatives by predicting the prediction of activity spectra for substances (PASS) with PASS online, followed by molecular docking using the AutoDockTools 4.2.6 program on ErbB4 protein kinase and visualizing the docking results using the Discovery Studio Visualizer software. While the study of QSPR pinostrobin and its derivatives was determined using physicochemical parameters with clearance (CL&lt;sub&gt;tot&lt;/sub&gt;) using SPSS. &lt;strong&gt;Results:&lt;/strong&gt; From the data obtained, 5-O-2- phenylacetylpinostrobin has a high affinity for ErbB4 protein with a free energy of binding (ΔG) -10.37 kcal/mol and an inhibition constant (Ki) of 26.06 nM. &lt;strong&gt;Conclusion:&lt;/strong&gt; Probability “to be active” (Pa) 5-O-2- phenylacetylpinostrobin of 0.595 for kinase inhibitors and 0.666 for apoptosis agonists, thus becoming candidates for breast cancer drugs. The QSPR model can be used to predict the properties of molecules such as CL&lt;sub&gt;tot&lt;/sub&gt;, this will be useful in the drug design process. The best QSPR regression equation for pinostrobin and its derivatives is Log (1/CL&lt;sub&gt;tot&lt;/sub&gt;) = 0.705 Log S + 0.035 MR + 0.375. This equation can be used as a reference in predicting CL&lt;sub&gt;tot&lt;/sub&gt;.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1143</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Ersanda Nurma Praditapuspa&lt;sup&gt;1&lt;/sup&gt;, Siswandono&lt;sup&gt;2,&lt;/sup&gt;*, Tri Widiandani&lt;sup&gt;2&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Master Program of Pharmaceutical Sciences, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ronny Lesmana</style></author><author><style face="normal" font="default" size="100%">Firyali Rahmani Shidqi</style></author><author><style face="normal" font="default" size="100%">Hanna Goenawan</style></author><author><style face="normal" font="default" size="100%">Iwan Setiawan</style></author><author><style face="normal" font="default" size="100%">Marisca Evalina Gondokesumo</style></author><author><style face="normal" font="default" size="100%">Farida Suhud</style></author><author><style face="normal" font="default" size="100%">Nasrul Wathoni</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">The Potential Interaction of Ethionamide-Thyroid Hormone Receptor Induces Hypothyroidism</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Ethionamide</style></keyword><keyword><style  face="normal" font="default" size="100%">Hypothyroidism</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">TRα</style></keyword><keyword><style  face="normal" font="default" size="100%">TRβ</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">September 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">1174-1179</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background: &lt;/strong&gt;Hypothyroidism is a common side effect found in patients with multidrug-resistant tuberculosis taking ethionamide. The mechanism of ethionamide-induced hypothyroidism is potentially caused by the structure of ethionamide compounds chemically similar to thioamide, such as propylthiouracil (C7H8N2S), which inhibits thyroid hormone synthesis. However, hypothyroidism is caused not only by a lack of production but also by signaling alteration. Thyroid hormone action is mediated by thyroid hormone receptors (TRs), members of the nuclear receptor superfamily that regulate their target genes. Unfortunately, there are limited studies on the potential interaction of ethionamide with TRs. &lt;strong&gt;Objective: &lt;/strong&gt;In the present study, we want to elaborate on the potential interaction of ethionamide with TRs which might alter the thyroid hormone genomic regulation. &lt;strong&gt;Methods:&lt;/strong&gt; Molecular docking studies were used to evaluate the potential interaction between ethionamide with TRα and TRβ. &lt;strong&gt;Results: &lt;/strong&gt;The molecular docking results on TRα showed more than one hydrogen bond–steric interaction formed from the ethionamide–amino acid residue interaction. Ethionamide–TRβ interaction showed more than one steric interaction, but the hydrogen bonds are not visualized. The docking score between ethionamide and TRα is −7.373 kcal/ mol and higher than its interaction with TRβ. &lt;strong&gt;Conclusion: &lt;/strong&gt;These findings indicate that ethionamide can interact with TRα and TRβ. However, the ethionamide–TRα interaction is stronger than ethionamide–TRβ interaction. Our study reports a novel mechanism of action of ethionamide-induced hypothyroidism.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">1174</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Ronny Lesmana&lt;sup&gt;1,2,&lt;/sup&gt;*, Firyali Rahmani Shidqi&lt;sup&gt;3&lt;/sup&gt;, Hanna Goenawan&lt;sup&gt;1,2&lt;/sup&gt;, Iwan Setiawan&lt;sup&gt;1,2&lt;/sup&gt;, Marisca Evalina Gondokesumo&lt;sup&gt;4&lt;/sup&gt;, Farida Suhud&lt;sup&gt;4&lt;/sup&gt;, Nasrul Wathoni&lt;sup&gt;5&lt;/sup&gt; &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Biomedical Sciences, Faculty of Medicine, Universitas Padjadjaran, Jatinangor 45363, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Physiology Molecular Laboratory, Biological Activity Division, Central Laboratory, Universitas Padjadjaran, Jatinangor 45363, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Undergraduate Program of Medical Doctor, Faculty of Medicine, Universitas Padjadjaran, Jatinangor 45363, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Faculty of Pharmacy, University of Surabaya, Surabaya 60294, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Universitas Padjadjaran, Jatinangor 45363, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Nisa Naspiah</style></author><author><style face="normal" font="default" size="100%">Mohammad Rizki Fadhil Pratama</style></author><author><style face="normal" font="default" size="100%">Sukardiman</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Xanthine Oxidase Inhibition Activity and ADMET Properties of Terap (Artocarpus odoratissimus Blanco) Leaves Metabolites: Phytochemical Screening and in silico Studies</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Artocarpus odoratissimus</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Xanthin Oxidase</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">September 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">1150-1160</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;Indonesia, with its biodiversity, is overgrown by various kinds of plants that have medicinal potential, including Terap (&lt;em&gt;Artocarpus odoratissimus&lt;/em&gt; Blanco). The leaves of &lt;em&gt;A. odoratissimus &lt;/em&gt;are empirically used by local people of Borneo Island to treat gout. The purpose of this study was to determine the antigout activity of the active compound from&lt;em&gt; A. odoratissimus&lt;/em&gt; leaves through xanthine oxidase inhibition using the molecular docking method and to determine the ADMET properties of these compounds. Phytochemical screening showed that &lt;em&gt;A. odoratissimus&lt;/em&gt; leaf extract contained alkaloids, flavonoids, steroids/triterpenoids, and phenolics. The results of TLC showed that &lt;em&gt;A. odoratissimus &lt;/em&gt;leaf extract contained steroid and flavonoid compounds in the form of stigmasterol and rutin. The results of molecular docking showed that flavan-3-ol provided the lowest bond-free energy against xanthine oxidase with a ΔG value of -8.3 kcal/mol, lower than allopurinol and hypoxanthine as reference ligands. Flavan-3-ol interacts with xanthine oxidase through hydrogen bonding with amino acid residues in the form of Arginine 912 and Lysine 1045. The prediction of ADMET properties from flavan-3-ol shows that the compound can be absorbed and has good permeability. Overall, the flavan-3-ol found in&lt;em&gt; A. odoratissimus&lt;/em&gt; leaves shows the potential to be developed as a xanthine oxidase inhibitor for use in gout therapy.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">1150</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Nisa Naspiah&lt;sup&gt;1&lt;/sup&gt;, Mohammad Rizki Fadhil Pratama&lt;sup&gt;1&lt;/sup&gt;, Sukardiman&lt;sup&gt;2,&lt;/sup&gt;*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Doctoral Program of Pharmaceutical Science, Faculty of Pharmacy, Universitas Airlangga, Jl Dr Ir H Soekarno Mulyorejo, Surabaya, East Java, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmacognosy and Phytochemical, Faculty of Pharmacy, Universitas Airlangga, Jl Dr Ir H Soekarno Mulyorejo, Surabaya, East Java, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Desdiani Desdiani</style></author><author><style face="normal" font="default" size="100%">Iris Rengganis</style></author><author><style face="normal" font="default" size="100%">Samsuridjal Djauzi</style></author><author><style face="normal" font="default" size="100%">Agus Setiyono</style></author><author><style face="normal" font="default" size="100%">Mohamad Sadikin</style></author><author><style face="normal" font="default" size="100%">Sri Widia A Jusman</style></author><author><style face="normal" font="default" size="100%">Nuryati Chairani Siregar</style></author><author><style face="normal" font="default" size="100%">Suradi</style></author><author><style face="normal" font="default" size="100%">Putri C Eyanoer</style></author><author><style face="normal" font="default" size="100%">Fadilah Fadilah</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In vitro Assay and Study Interaction of Uncaria gambir (Hunter) Roxb. as Anti-fibrotic Activity Against A549 Cell Line</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Gambiriin compounds</style></keyword><keyword><style  face="normal" font="default" size="100%">Inhibitor of p50 NF-κB</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Pulmonary fibrosis</style></keyword><keyword><style  face="normal" font="default" size="100%">TGF-β1 receptors</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2020</style></year><pub-dates><date><style  face="normal" font="default" size="100%">September 2020</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">12</style></volume><pages><style face="normal" font="default" size="100%">1232-1240</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Aim: &lt;/strong&gt;The aim of this study is to finding inhibitor potential from several compounds in gambir plant by using&lt;em&gt; in vitro&lt;/em&gt; MTT assay and study interaction with molecular docking. The interaction of amino acids on the binding site with substances in the gambir plant was analyzed to determine its potential as a herbal-based therapy candidate for pulmonary fibrosis. &lt;strong&gt;Material and Methods:&lt;/strong&gt; Protein target using TGFβ1 and NF-κB and compounds from gambir plant ((+)-Catechin. Epigallocatechin gallate, (+)-Epicatechin, Gambiriin A1, Gambiriin A2, Gambiriin B1, Gambiriin B2, Gambiriin C, Procyanidin B1, Procyanidin B3). &lt;strong&gt;Result:&lt;/strong&gt; The results from docking analysis observed that compounds from gambir fruit contain anti-fibrotic activity which act by inhibiting DNA transcription of NF-κB and TGF-β1receptors. The compound Procyanidin B3, an essential amino acid, contains a hydrogen bond with the greatest NF-κB inhibitory activity on Gly214 and Lys337. Compounds from&lt;em&gt; Uncaria gambir &lt;/em&gt;(Hunter) Roxb. can be an inhibitor to TGFβ1, all the compounds are on the active site of TGFβ1, and use native ligand which is an inhibitor of TGFβ1 (Naphtyridine). The positive compound catechin has the highest inhibitory activity. Gambiriin B1 and Gambiriin A2 are the most identical compounds with similar affinity binding value. &lt;em&gt;Uncaria gambir&lt;/em&gt; (Hunter) Roxb. is already a proven antifibrotic which is further confirmed by (IC&lt;sub&gt;50&lt;/sub&gt;: 19,255 ± 1.08 μg/ml, p &amp;lt; 0.05) in A549 cell line. &lt;strong&gt;Conclusion: &lt;/strong&gt;The results demonstrated that Gambiriin have cytotoxic effects and was found potentially as anti-fibrotic by MTT assay and in silico evaluation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1232</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Desdiani Desdiani&lt;sup&gt;1,&lt;/sup&gt;*, Iris Rengganis&lt;sup&gt;2&lt;/sup&gt;, Samsuridjal Djauzi&lt;sup&gt;2&lt;/sup&gt;, Agus Setiyono&lt;sup&gt;3&lt;/sup&gt;, Mohamad Sadikin&lt;sup&gt;4&lt;/sup&gt;, Sri Widia A. Jusman&lt;sup&gt;4&lt;/sup&gt;, Nuryati Chairani Siregar&lt;sup&gt;5&lt;/sup&gt;, Suradi&lt;sup&gt;6&lt;/sup&gt;, Putri C. Eyanoer&lt;sup&gt;7&lt;/sup&gt;, Fadilah Fadilah&lt;sup&gt;8,&lt;/sup&gt;* &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Faculty of Medicine, Universitas Sultan Ageng Tirtayasa, Cilegon, Banten, Indonesia&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Internal Medicine, Faculty of Medicine, University of Indonesia, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Faculty of Veterinary Medicine IPB, Bogor, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department Biochemistry and Molecular Biology, Faculty of Medicine, University of Indonesia, Depok, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department Anatomical Pathology, Faculty of medicine, University of Indonesia, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Department of Pulmonology and Respiratory Medicine, Faculty of medicine, Universitas Sebelas Maret, Surakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Community and Preventive Medicine, Universitas Sumatera Utara&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Department of Medical Chemistry, Faculty of medicine, University of Indonesia; Bioinformatics Core Facilities, Indonesian Medical Education and Research Institute (IMERI), Jakarta, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rifki Febriansah</style></author><author><style face="normal" font="default" size="100%">Titi Komalasari</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Co-Chemotherapeutic Effect of Ageratum conyzoides L. Chloroform Fraction and 5-Fluorouracil on Hela Cell Line</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Ageratum conyzoides L.</style></keyword><keyword><style  face="normal" font="default" size="100%">Bcl-XL protein</style></keyword><keyword><style  face="normal" font="default" size="100%">Cytotoxic assay</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Nobiletin</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">September 2019</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">11</style></volume><pages><style face="normal" font="default" size="100%">913-918</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Objective:&lt;/strong&gt; This study was to determine the co-chemotherapeutic effect of the chloroform fraction of bandotan (&lt;em&gt;Ageratum conyzoides&lt;/em&gt; L.) (CFB) and its combination with 5-Fluorouracil (5-FU) by&lt;em&gt; in vitro&lt;/em&gt; and&lt;em&gt; in silico &lt;/em&gt;assay. &lt;strong&gt;Methods:&lt;/strong&gt; Ethanolic extract of bandotan were fractionated with chloroform. Thin Layer Chromatography (TLC) used to identify active compound and &lt;em&gt;in vitro&lt;/em&gt; study with MTT Assay to determine the viability of HeLa cells after extract treatment.&lt;em&gt; Molecular docking&lt;/em&gt; used Autodock Vina for &lt;em&gt;in silico&lt;/em&gt; study to visualize molecular interaction and affinity between nobiletin and 5-FU with Bcl-XL protein. &lt;strong&gt;Results:&lt;/strong&gt; The result of TLC for CFB showed the Rf value of 0.75, it has the similar value with quersetin standard and indicated that CFB contains flavonoid compound. The &lt;em&gt;Molecular docking&lt;/em&gt; had ΔG for nobiletin and 5-FU were -8.0 and -4.7 kcal/mol, respectively. This result showed that the affinity of nobiletin with Bcl-XL protein higher than 5-FU. Single cytotoxic assay of CFB and 5-FU showed the IC&lt;sub&gt;50&lt;/sub&gt; value of 30 μg/ml and 45 μg/ml, respectively. Combination assay of CFB and 5-FU showed the CI value of 0.36, meaning the presence of synergistic effects. &lt;strong&gt;Conclusion:&lt;/strong&gt; CFB has a positive effect to inhibit viability of HeLa cervical cancer cells and potential to develop as co-chemotherapy agent with 5-FU.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">913</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Rifki Febriansah*, Titi Komalasari&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;School of Pharmacy, Faculty of Medicine and Health Sciences, Universitas Muhammadiyah Yogyakarta, Yogyakarta, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Stefandi J Wijaya</style></author><author><style face="normal" font="default" size="100%">Arry Yanuar</style></author><author><style face="normal" font="default" size="100%">Rosita Handayani</style></author><author><style face="normal" font="default" size="100%">Rezi Riadhi Syahdi</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In silico Analysis of Flavonoid Glycosides and its Aglycones as Reverse Transcriptase Inhibitor</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Flavonoid</style></keyword><keyword><style  face="normal" font="default" size="100%">Glycosides</style></keyword><keyword><style  face="normal" font="default" size="100%">HIV</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Reverse transcriptase</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">October 2019</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">11</style></volume><pages><style face="normal" font="default" size="100%">1252-1255</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background:&lt;/strong&gt; HIV continues to be a major global public health issue, having claimed more than 35 million lives so far. In 2016, 1 million people died from HIV-related causes globally. HIV-1 reverse transcriptase is one of HIV’s vital enzymes for virus reproduction. If the enzyme is inhibited, the virus multiplication could be significantly decreased. There are currently many treatments for HIV, but more effective treatment is always needed because of the possibility of drug resistance and side effects for long-term use. Based on the previous study, there are some natural compounds with high affinity to the HIV-1 reverse transcriptase enzyme. Some of these compounds are flavonoid glycosides. &lt;strong&gt;Aims and Method:&lt;/strong&gt; This study was aimed to learn more about &lt;em&gt;in silico&lt;/em&gt; HIV-1 reverse transcriptase inhibitory activities of flavonoid glycosides using docking method. &lt;strong&gt;Results:&lt;/strong&gt; The results showed that the most recommended flavonoid glycosides are those with the lowest binding energy, which were kaempferol-3-O-rhamnoside, myricetin-3-O-rhamnoside and quercetin-3-O-rhamnoside. This was due to the interactions of all three flavonoid rings and sugar moiety with key amino acid residues, which were Leu100, Lys101, Glu138, Tyr181, His235 and Tyr318. &lt;strong&gt;Conclusion: &lt;/strong&gt;Flavonoid glycosides with rhamnose as glycone showed lower binding energy on HIV-1 reverse transcriptase.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1252</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Stefandi J Wijaya, Arry Yanuar, Rosita Handayani, Rezi Riadhi Syahdi* &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;Faculty of Pharmacy, Universitas Indonesia, Depok, 16424, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Lakshmanan G</style></author><author><style face="normal" font="default" size="100%">Sivaraj C</style></author><author><style face="normal" font="default" size="100%">Ammar A</style></author><author><style face="normal" font="default" size="100%">Anantha Krishnan D</style></author><author><style face="normal" font="default" size="100%">Gopinath S</style></author><author><style face="normal" font="default" size="100%">Saravanan K</style></author><author><style face="normal" font="default" size="100%">Gunasekaran K</style></author><author><style face="normal" font="default" size="100%">Murugesan K</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Isolation and Structural Elucidation of Allantoin a Bioactive Compound from Cleome viscosa L.: A Combined Experimental and Computational Investigation</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Allantoin</style></keyword><keyword><style  face="normal" font="default" size="100%">Antibacterial activity</style></keyword><keyword><style  face="normal" font="default" size="100%">Cleome viscosa</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">XRD</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">November 2019</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">11</style></volume><pages><style face="normal" font="default" size="100%">1391-1400</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;Allantoin, a crystalline compound was isolated from the methanolic extract of &lt;em&gt;Cleome viscosa &lt;/em&gt;and it was reported for first time from this plant. The structure of Allantoin was elucidated by single crystal XRD and it was further confirmed through FTIR and ESI-MS spectroscopy techniques. It was crystallized in monoclinic crystal system with the space group P2i/c. Electronic structure characterization of the isolated Allantoin was done through density functional theory calculation. The atomic charges, dipole moment, frontier molecular orbital and the electrostatic potential map of the molecule in the gaseous phase and in the active site have also been analyzed. The optimized geometry was used for molecular docking to identify the possible binding mode. Furthermore, the &lt;em&gt;in vitro &lt;/em&gt;antibacterial activity of the isolated Allantoin against Gram-positive and Gram-negative bacteria was evaluated. Maximum Inhibitory Concentrations (MIC) of isolated Allantoin results showed 4 μg/mL for &lt;em&gt;B. subtilis&lt;/em&gt; and 8 μg/mL for &lt;em&gt;S. aureus, E. coli and K. pneumoniae.&lt;/em&gt;&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6s</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1391</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Lakshmanan G&lt;sup&gt;1&lt;/sup&gt;, Sivaraj C&lt;sup&gt;2&lt;/sup&gt;, Ammar A&lt;sup&gt;3,&lt;/sup&gt;*, Anantha Krishnan D&lt;sup&gt;4&lt;/sup&gt;, Gopinath S&lt;sup&gt;5&lt;/sup&gt;, Saravanan K&lt;sup&gt;6&lt;/sup&gt;, Gunasekaran K&lt;sup&gt;4&lt;/sup&gt;, Murugesan K&lt;sup&gt;7&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;CAS in Botany, University of Madras, Guindy Campus, Chennai – 600025, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;ARMATS Biotek Training and Research Institute, Guindy, Chennai – 600032, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Food science department, College of Agriculture, University of Basrah, 61004, IRAQ.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;CAS in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai – 600025, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Physics, RKM Vivekananda College (Autonomous), Mylapore, Chennai – 600004, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Department of Physics, Periyar University, Salem – 636011, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;SRM – Institute of Science &amp;amp; Technology, Ramapuram Campus, Chennai – 600089, INDIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Dwitiyanti</style></author><author><style face="normal" font="default" size="100%">Yahdiana Harahap</style></author><author><style face="normal" font="default" size="100%">Berna Elya</style></author><author><style face="normal" font="default" size="100%">Anton Bahtiar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Study of Molecular Docking of Vitexin in Binahong (Anredera cordifolia (Ten.) Steenis) Leaves Extract on Glibenclamide-CYP3A4 Interaction</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Diabetes mellitus</style></keyword><keyword><style  face="normal" font="default" size="100%">Glibenclamide</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Vitexin</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">November 2019</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">11</style></volume><pages><style face="normal" font="default" size="100%">1471-1476</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Introduction: &lt;/strong&gt;Diabetes Mellitus is a disease that has a high prevalence in Indonesia. About 90-95% of all diabetes cases were caused by the failure or incapability of insulin target cells to respond to the insulin in normal state. The use of glibenclamide antidiabetic drugs with herbs has been occurred frequently in the community. Vitexin, one of active compounds in binahong (&lt;em&gt;Anredera cordifolia&lt;/em&gt; (Ten.) Steenis) leaves, has been known to have an antidiabetic effects. This study aimed to determine the molecular docking interaction of glibenclamide and vitexin in binahong leaves against CYP3A4 as antidiabetic drug. &lt;strong&gt;Method: &lt;/strong&gt;Molecular docking methods were carried out using Autodock Vina software and interaction was visualized using discovery studio. &lt;strong&gt;Results: &lt;/strong&gt;The study indicated that the value of glibenclamide complex free energy with CYP3A4 was -3.2 kcal/mol and the stability has increasing to -4.4 kcal/mol after docked with vitexin. The glibenclamide and vitexin complexes had 7 Pi alkyl hydrophobic bonds, 1 hydrocarbon hydrogen bond 1 Pi-cation electrostatic interactions, other interactions between Pi bond and sulfur atoms in cysteine amino acid residues, Pi bond interactions in phenylalamin aromatic groups with electron pairs oxygen atom. &lt;strong&gt;Conclusion: &lt;/strong&gt;This study concluded that vitexin could improve glibenclamide stability.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6s</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1471</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Dwitiyanti&lt;sup&gt;1&lt;/sup&gt;, Yahdiana Harahap&lt;sup&gt;2&lt;/sup&gt;, Berna Elya&lt;sup&gt;3&lt;/sup&gt;, Anton Bahtiar&lt;sup&gt;4,&lt;/sup&gt;*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Graduated Program of faculty of Pharmacy, Universitas Indonesia, Kampus UI Depok, West Java 16424, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Bioanalysis, Faculty of Pharmacy, Universitas Indonesia, Kampus UI Depok, West Java 16424, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Phytochemistry, Faculty of Pharmacy, Universitas Indonesia, Kampus UI Depok, West Java 16424, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Pharmacology and Toxicology, Faculty of Pharmacy, Universitas Indonesia, Kampus UI Depok, West Java 16424, INDONESIA.&lt;/p&gt;
</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ravikumar Shivakumar</style></author><author><style face="normal" font="default" size="100%">Krishna Venkatarangaiah</style></author><author><style face="normal" font="default" size="100%">Sudhesh Shastri</style></author><author><style face="normal" font="default" size="100%">Ravishankara Burladinni Nagaraja</style></author><author><style face="normal" font="default" size="100%">Ajith Sheshagiri</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Antibacterial Property and Molecular Docking Studies of Leaf Calli Phytochemicals of Bridelia scandens Wild.</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ADMET</style></keyword><keyword><style  face="normal" font="default" size="100%">Antibacterial</style></keyword><keyword><style  face="normal" font="default" size="100%">Bridelia scandens</style></keyword><keyword><style  face="normal" font="default" size="100%">DNA Gyrase</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2018</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">1221-1229</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Background:&lt;/strong&gt; &lt;em&gt;Bridelia scandens&lt;/em&gt; Wild. (Euphorbiaceae) leaves are widely used to cure asthma, bronchitis pleurisy, exudation, sores in mouth and genital cancers. &lt;strong&gt;Objective:&lt;/strong&gt; To evaluate antibacterial activity of the leaf calli methanol extract (LCME). &lt;strong&gt;Materials and Methods:&lt;/strong&gt; Mass production of leaf calli was established on MS medium supplemented with 0.5 mg/L BAP and 0.5 mg/L 2, 4-D. Methanol extract of the dried calli was subjected to HR-LCMS analysis, antibacterial screening of the extract was carried out against human pathogenic clinical isolates. Molecular docking study of HR-LCMS identified compounds was performed by docking with bacterial enzyme DNA gyrase.&lt;strong&gt; Results:&lt;/strong&gt; HR-LCMS analysis of LCME shows that the compounds azaperone bifonazole, fusidic acid, lasalocid and quinine as the major constituents. The antibacterial screening of LCME against clinical pathogens showed significant bactericidal activity against the strains Staphylococcus aureus (17.67&amp;plusmn;0.88 mm.d.), &lt;em&gt;Streptococcus pneumonia&lt;/em&gt; (13.67&amp;plusmn;0.33), &lt;em&gt;Pseudomonas aeruginosa&lt;/em&gt; (16.33&amp;plusmn;0.67), &lt;em&gt;Salmonella typhi&lt;/em&gt; (17.67&amp;plusmn;0.33), and Vibrio cholera (15.33&amp;plusmn;0.33) as compared to the standard drug ciprofloxacin. The molecular docking of lasalocid against the bacterial enzyme DNA gyrase exhibited good binding affinity of -4.9 kcal/mol, good drug likeness (2.5589), 2 hydrogen bonds and hydrophobic interaction with 7 amino acid residues, so that lasalocid processes good inhibitor as compared to other 4 compounds. &lt;strong&gt;Conclusion:&lt;/strong&gt; LCME of &lt;em&gt;Bridelia scandens&lt;/em&gt; showed significant antibacterial activity against &lt;em&gt;Staphylococcus aureus&lt;/em&gt; and &lt;em&gt;Salmonella typhi&lt;/em&gt;. Lasalocid is the major phytocomponent of LCME which exhibited good inhibitory activity against bacterial enzyme DNA gyrase. This investigation supported traditional claim of LCME as potential antibacterial drug.&amp;nbsp;&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1221</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;strong&gt;Ravikumar Shivakumar, Krishna Venkatarangaiah, Sudhesh Shastri, Ravishankara Burladinni Nagaraja, Ajith Sheshagiri &lt;/strong&gt;&lt;/p&gt;
&lt;p&gt;Department of PG Studies and Research in Biotechnology, Kuvempu University, Shankaraghatta, Shivamogga, Karnataka, INDIA.&lt;/p&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Anamika Basu</style></author><author><style face="normal" font="default" size="100%">Anasua Sarkar</style></author><author><style face="normal" font="default" size="100%">Piyali Basak</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Immunoinformatics Study of Procyanidins as Mast Cell Stabilizers</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Allergy</style></keyword><keyword><style  face="normal" font="default" size="100%">IgE</style></keyword><keyword><style  face="normal" font="default" size="100%">IgE receptor FcεRI</style></keyword><keyword><style  face="normal" font="default" size="100%">Mast cell stabilizer</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Procyanidins</style></keyword><keyword><style  face="normal" font="default" size="100%">Tryptophan residues</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">May 2018</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://fulltxt.org/article/676</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">814-817</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Background:&lt;/strong&gt; Allergens are foreign proteins that stimulate the production of immunoglobulin E (IgE), when they come in contact with human body. These allergens after binding with IgE through Fc&amp;epsilon;RI receptor, triggers the signal transduction reaction in mast cell and basophil cells, leading to allergic reactions by releasing some mediators. Four correctly written as surface-exposed tryptpphans Trp 87, Trp 110, Trp 113 and Trp 156 of Fc&amp;epsilon;RI receptor protein,play significant role in IgE and Fc&amp;epsilon;RI receptor binding interaction. Polyphenols in apple are proven effective for allergic rhinitis treatment by preventing degranulation of granulocytes. &lt;strong&gt;Objective:&lt;/strong&gt;To prevent release of mediators like histamine etc., a therapeutic strategy can be designed by inhibiting IgE and Fc&amp;epsilon;RI receptor interactions.This strategy may provide a symptomatic treatment for allergic reactions due to exposure to pollen allergens. &lt;strong&gt;Materials and methods:&lt;/strong&gt; Molecular docking studies are used to analyse the IgE with Fc&amp;epsilon;RI receptor binding in presence and absence of procyanidin molecules, present in apple. &lt;strong&gt;Results:&lt;/strong&gt; For procyanidin molecules, binding affinity of IgE molecule with its high affinity receptor (Fc&amp;epsilon;RI receptor)decreases markedly. Thepositions of Trp 87, Trp 110, Trp 113 and Trp 156 are changed for the presence of procyanidin C1 molecule. Since IgE and Fc&amp;epsilon;RI receptor binding is highly affected in presence of procyanidin C1, so this compound can inhibit mast cell degranulation by altering the binding affinity of IgE with its its high affinity receptor (Fc&amp;epsilon;RI receptor). &lt;strong&gt;Conclusion:&lt;/strong&gt; Procyanidin C1 can be used as natural anti-allergic drug by stabilizing mast cells during pollen allergic reaction after experimental verification.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">814</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Anamika Basu&lt;sup&gt;1*&lt;/sup&gt;, Anasua Sarkar&lt;sup&gt;2&lt;/sup&gt;, Piyali Basak&lt;/strong&gt;&lt;sup&gt;&lt;strong&gt;3&lt;/strong&gt; &lt;/sup&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Lecturer, Department of Biochemistry, Gurudas College, Kolkata, West Bengal, INDIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Assistant Professor, Computer Science and Engineering Department, Jadavpur University,Kolkata, West Bengal, INDIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Director,School of Bioscience and Engineering, Jadavpur University, Kolkata, West Bengal, INDIA.&lt;/p&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Sangeetha Muniaraj</style></author><author><style face="normal" font="default" size="100%">Vijayakumar Subramanian</style></author><author><style face="normal" font="default" size="100%">Prabhu Srinivasan</style></author><author><style face="normal" font="default" size="100%">Manogar Palani</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In silico and in vitro Studies on Lyngbya majuscula using against Lung Cancer Cell Line (A549)</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Cytotoxic</style></keyword><keyword><style  face="normal" font="default" size="100%">Lyngbya majuscula</style></keyword><keyword><style  face="normal" font="default" size="100%">Lyngbyastatin</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">MTT assay DAPI staining</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">March 2018</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://fulltxt.org/article/502</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">421-428</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Objective:&lt;/strong&gt; To predict an anticancer drug from the members of cyanobacteria,&lt;em&gt; in silico&lt;/em&gt; molecular docking was carried out between the cyanobacterial bioactive compounds and lung cancer causing receptor. The highest docking score was produced by Lyngbyastatin (&lt;em&gt;Lyngbya majuscula&lt;/em&gt;). In the present study anticancer potential of &lt;em&gt;L. majuscula&lt;/em&gt; was evaluated on human lung cancer cell line (A549) using its methanolic extract. &lt;strong&gt;Methods:&lt;/strong&gt; Molecular docking was carried out between the Epidermal Growth Factor Receptor tyrosine kinase and cyanobacterial compounds. Based on the docking results, Lyngbyastatin was found to be the most effective compound. As this compound is present in the &lt;em&gt;L. majuscula,&lt;/em&gt; the cytotoxicity of this organism was assessed by standard cell viability assays like MTT method. Algal methanolic extract treated with A 549 cell line morphology was studied by DAPI staining. DNA fragmentation assay was also conducted to study the presence of DNA laddering. &lt;strong&gt;Results:&lt;/strong&gt; Totally 75 bioactive compounds were docked with Epidermal Growth Factor Receptor tyrosine kinase . Of them, 12 compounds were selected based on the docking score. Among the 12 bioactive compounds, Lyngbyastatin found to be most effective compound. &lt;em&gt;L. majuscula&lt;/em&gt; showed potential anticancer activity against A549 cell line with IC&lt;sub&gt;50&lt;/sub&gt; value of 14.82&amp;plusmn; 0.62 &amp;mu;g/ml in MTT method. Most of the treated cells lost their characteristic stretched appearance with shrinkage of nucleus. DNA profile revealed the presence of sheared DNA in treated ones but no fragmentation was observed. &lt;strong&gt;Conclusion:&lt;/strong&gt; The results indicated potent anticancer of algal methanolic extract on A549 cell line, which may be good candidates for further investigation to isolate bioactive anticancer compounds.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">421</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Sangeetha Muniaraj&lt;sup&gt;1&lt;/sup&gt;, Vijayakumar Subramanian&lt;sup&gt;2*&lt;/sup&gt;, Prabhu Srinivasan&lt;sup&gt;2&lt;/sup&gt;, Manogar Palani&lt;sup&gt;2&lt;/sup&gt; &lt;/strong&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Microbiology, Kamaraj College, Tuticorin-628003, Tamil Nadu, INDIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;PG and Research, Department of Botany and Microbiology, A.V.V.M. Sri Pushpam College, Poondi, Thanjavur-613503, Tamil Nadu, INDIA.&lt;/p&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Jeyavel Renukadevi</style></author><author><style face="normal" font="default" size="100%">Ganesan Nandhinidevi</style></author><author><style face="normal" font="default" size="100%">Muthiah Bavanilatha</style></author><author><style face="normal" font="default" size="100%">Hemanath Tharani</style></author><author><style face="normal" font="default" size="100%">Rajarajan Sathiyabama</style></author><author><style face="normal" font="default" size="100%">Subramani Vasumathi</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Pharmacophore Modelling of Brassicaceae Members as Potent HIF (Hypoxia Inducible Factor) Inhibitors Involved in Cancer Angiogenesis</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Angiogenesis</style></keyword><keyword><style  face="normal" font="default" size="100%">Brassicaceae</style></keyword><keyword><style  face="normal" font="default" size="100%">HIF</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Pharmacophore</style></keyword><keyword><style  face="normal" font="default" size="100%">Simulation</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">May 2018</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://fulltxt.org/article/673</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">798-802</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;Angiogenesis is considered as an essential pathological feature of cancer due to its interplay between cancer and other diseases. Natural products found to act as antiangiogenic agents that mediate the angiogenic switch between pro and anti angiogenic factors. Among the different targets, HIF is an important and critical factor that stands as a key mediator between angiogenesis, inflammation and cancer. In our study different phytochemicals of Brassicaceae were analysed for their drug like properties and mapped for pharmacophore development. The developed pharmacophore was virtually screened and further subjected to Lipinski and ADMET filters. The molecular interaction studies of the 10 retrieved compounds were studied by binding with HIF. Among the compounds 1stdrug like molecule HTS 0115 (C&lt;sub&gt;15&lt;/sub&gt;H&lt;sub&gt;21&lt;/sub&gt;BrN&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;) was found to have best docked score and its interaction was further validated using dynamics simulation. The compound found to share the pharmacophoric features with progoitrin a biochemical form of glucosinolate with reported anticancer and anti thyroid activities. Thus the drug like compound HTS 0115 can be further optimised as a putative HIF inhibitor in tumor angiogenesis.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">798</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Jeyavel Renukadevi&lt;sup&gt;*1&lt;/sup&gt;, Ganesan Nandhinidevi&lt;sup&gt;1&lt;/sup&gt;, Muthiah Bavanilatha&lt;sup&gt;2&lt;/sup&gt;, Hemanath Tharani&lt;sup&gt;1&lt;/sup&gt;, Rajarajan Sathiyabama&lt;sup&gt;1&lt;/sup&gt;, Subramani Vasumathi&lt;sup&gt;1 &lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Biotechnology, Anna University, Chennai, Tamil Nadu, INDIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Biotechnology, Sathyabama University, Chennai, Tamil Nadu, INDIA.&lt;/p&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Morvin Yabesh Jobu Esther</style></author><author><style face="normal" font="default" size="100%">Vijayakumar Subramaniyan</style></author><author><style face="normal" font="default" size="100%">Arulmozhi Praveen Kumar</style></author><author><style face="normal" font="default" size="100%">Mahadevan Subramanian</style></author><author><style face="normal" font="default" size="100%">Manogar Palani</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Docking, ADMET Analysis and Dynamics Approach to Potent Natural Inhibitors against Sex Hormone Binding Globulin in Male Infertility</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ADMET property</style></keyword><keyword><style  face="normal" font="default" size="100%">Male infertility</style></keyword><keyword><style  face="normal" font="default" size="100%">MD simulations</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Phytocompounds</style></keyword><keyword><style  face="normal" font="default" size="100%">SHBG</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">November 2017</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://fulltxt.org/article/379</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">9</style></volume><pages><style face="normal" font="default" size="100%">s35-s43</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Objectives:&lt;/strong&gt; The Sex Hormone Binding Globulin (SHBG) plays an important role in male infertility. &lt;strong&gt;Methods:&lt;/strong&gt; The present research computationally emphases to SHBG protein with 47 natural phytocompounds using docking studies. &lt;strong&gt;Results:&lt;/strong&gt; From the results showed the interactions between 1KDM protein with 47 phytocompounds, a natural compound chlorogenic acid showed the best glide docking XP score -7.255 kcal/mol and the binding energy value of -47.869 kcal/ mol. Based on the result, the chlorogenic acid and target were run on MD simulations stable at 10 ns. &lt;strong&gt;Conclusion:&lt;/strong&gt; Finally, this study concludes the chlorogenic acid is a suitable drug candidate for infertility.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6s</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">s35</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Morvin Yabesh Jobu Esther*, Vijayakumar Subramaniyan, Arulmozhi Praveen Kumar, Mahadevan Subramanian and Manogar Palani &lt;/strong&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;Computational Phytochemistry Lab, PG and Research Department of Botany and Microbiology, AVVM Sri Pushpam College (Autonomous), Poondi, Thanjavur, Tamil Nadu, India&lt;/p&gt;</style></auth-address></record></records></xml>