<?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%">Yudi Ambeng</style></author><author><style face="normal" font="default" size="100%">Nia Kania</style></author><author><style face="normal" font="default" size="100%">Ika Kustiyah Oktaviyanti</style></author><author><style face="normal" font="default" size="100%">Eka Yudha Rahman</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">LC–MS Profiling, In Silico Docking–MD and ADMET of Uncaria gambir Roxb. for p38 MAPK Inhibition</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%">2-diol</style></keyword><keyword><style  face="normal" font="default" size="100%">8-methylnaphthalene-1</style></keyword><keyword><style  face="normal" font="default" size="100%">bajakah</style></keyword><keyword><style  face="normal" font="default" size="100%">computational modeling</style></keyword><keyword><style  face="normal" font="default" size="100%">Drug discovery</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Phytochemical profiling</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2026</style></year><pub-dates><date><style  face="normal" font="default" size="100%">April 2026</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">18</style></volume><pages><style face="normal" font="default" size="100%">8-17</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;p38 mitogen-activated protein kinase (MAPK) is a pivotal regulator of inflammatory and cancer pathways. This study investigates phytochemicals from Bajakah (Uncaria gambir Roxb.) bark as potential p38 MAPK inhibitors, integrating LC–MS profiling with computational drug discovery. &lt;strong&gt;Methods: &lt;/strong&gt;Bajakah bark extract was profiled by liquid chromatography–high-resolution mass spectrometry (LC–HRMS) to identify major phytochemicals. Promising non-toxic candidates were selected via in silico toxicity prediction (ProTox-II) and ADME assessment (pkCSM). Molecular docking against p38 MAPK (PDB ID: 3QUE) was performed using AutoDock Vina, followed by 50 ns molecular dynamics simulations with GROMACS and MM/PBSA binding free energy calculations using gmx_MMPBSA. &lt;strong&gt;Results:&lt;/strong&gt; LC–HRMS identified ten major phytochemicals; 8-methylnaphthalene-1,2-diol (Diol) and methyl cinnamate exhibited non-toxic profiles (LD&lt;sub&gt;₅₀&lt;/sub&gt; &amp;gt; 2,600 mg/kg; no CYP450 liabilities) with favorable ADME properties. Molecular docking revealed binding energies of −8.04 kcal/mol (Diol), −11.4 kcal/mol (Skepinone-L reference), and −6.4 kcal/mol (methyl cinnamate). Both Diol and Skepinone-L engaged conserved hydrophobic residues (VAL38 and LYS53), with Diol showing additional engagement at LEU104, and docking RMSD validation within 2.5 Å. Molecular dynamics confirmed stable Diol–p38 complex binding (RMSD ~0.30 nm), with balanced solvent accessibility, stable dynamic binding dominated by electrostatic interactions, and adaptive conformational sampling. MM/PBSA analysis revealed binding free energies of −21.9 kcal/mol (Diol) and −32.9 kcal/mol (Skepinone-L), with Diol's affinity driven by electrostatic interactions (−29.62 kcal/mol). &lt;strong&gt;Conclusions: &lt;/strong&gt;8-Methylnaphthalene-1,2-diol emerges as a promising natural p38 MAPK inhibitor candidate with favorable safety profiles and dynamic binding properties, warranting biochemical validation and structure–activity relationship optimization.&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%">8</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Yudi Ambeng&lt;sup&gt;1*&lt;/sup&gt;, Nia Kania&lt;sup&gt;2&lt;/sup&gt;, Ika Kustiyah Oktaviyanti&lt;sup&gt;2&lt;/sup&gt;, Eka Yudha Rahman&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;Department of Urology, dr. Doris Sylvanus General Hospital, Medical Faculty, Palangka Raya University, Palangka Raya, Center Kalimantan, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pathology, Ulin General Hospital, Medical Faculty, Lambung Mangkurat University, Banjarmasin, South Kalimantan, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Urology, University of Lambung Mangkurat, Banjarmasin, 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%">Madan Kumar D</style></author><author><style face="normal" font="default" size="100%">Dr. R. Raj Bharath</style></author><author><style face="normal" font="default" size="100%">Kumar Sivasubramanian</style></author><author><style face="normal" font="default" size="100%">Ishwarya Chandramohan</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Phytochemical Profiling of Moringa Oleifera and Carica Papaya Synthesized Silver Nanoparticles Through GCMS and Computational Approaches for Dengue Virus Inhibition</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%">Antiviral candidates</style></keyword><keyword><style  face="normal" font="default" size="100%">Carica papaya</style></keyword><keyword><style  face="normal" font="default" size="100%">Green synthesis</style></keyword><keyword><style  face="normal" font="default" size="100%">In silico screening</style></keyword><keyword><style  face="normal" font="default" size="100%">Moringa oleifera</style></keyword><keyword><style  face="normal" font="default" size="100%">Phytochemical profiling</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2026</style></year><pub-dates><date><style  face="normal" font="default" size="100%">October 2026</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">18</style></volume><pages><style face="normal" font="default" size="100%">286-299</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; Dengue virus (DENV) continues to be a critical global health burden due to the lack of targeted antiviral therapies. Green-synthesized silver nanoparticles (AgNPs) offer a sustainable, biocompatible, and effective alternative for viral inhibition. This study explores the synergistic potential of Moringa oleifera and Carica papaya in synthesizing AgNPs and identifies bioactive compounds capable of inhibiting DENV. &lt;strong&gt;Methods: &lt;/strong&gt;Silver nanoparticles were biosynthesized using M. oleifera seeds and C. papaya fruits. Characterization was performed via UV, TEM, EDS, and FTIR to confirm structural and elemental properties. Phytochemicals were identified through GC-MS profiling. In silico screening was conducted using SwissADME for drug-likeness and PASS-ONLINE for antiviral activity against DENV Serotype 2. Finally, molecular docking was employed to evaluate the binding affinity of selected compounds against key viral targets: NS2B/NS3 protease, NS5 polymerase, and envelope protein domain III. &lt;strong&gt;Results:&lt;/strong&gt; GC-MS initially identified 130 compounds from M. oleifera and 160 from C. papaya. Following ADME filtration, these were reduced to 37 and 35 compounds, respectively. Based on antiviral prediction scores, eight lead compounds were shortlisted for docking. 3-pyridinecarboxylic acid and benzeneacetic acid emerged as the primary lead scaffolds within this dataset, demonstrating moderate binding affinities and stable molecular interactions with critical DENV proteins. These findings provide preliminary in silico insights into prospective starting structures that warrant future experimental optimization and biological validation. &lt;strong&gt;Conclusion:&lt;/strong&gt; The study demonstrates that plant-mediated nanotechnology, combined with computational drug discovery, can efficiently identify novel antiviral scaffolds. The dual-functional approach of using M. oleifera and C. papaya for AgNP synthesis and bioactive compound sourcing provides a promising framework for developing future experimental validation toward dengue therapeutics.&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%">286</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Madan Kumar D&lt;sup&gt;1*&lt;/sup&gt;, Dr. R. Raj Bharath&lt;sup&gt;2*&lt;/sup&gt;, Kumar Sivasubramanian&lt;sup&gt;1&lt;/sup&gt;, Ishwarya Chandramohan&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 Microbiology, SRM medical college hospital and research centre, Faculty of Medicine and Health Sciences, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu, Tamilnadu, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Transfusion Medicine &amp;amp; Blood Centre, SRM medical college hospital and research centre, Faculty of Medicine and Health Sciences, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu, Tamilnadu, 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%">Peggy Willie</style></author><author><style face="normal" font="default" size="100%">Edak A Uyoh</style></author><author><style face="normal" font="default" size="100%">Peter O Aikpokpodion</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Gas Chromatography-Mass Spectrometry (GC-MS) Assay of Bio- Active Compounds and Phytochemical Analyses in Three Species of Apocynaceae</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%">Drug discovery</style></keyword><keyword><style  face="normal" font="default" size="100%">Gongronema latifolium</style></keyword><keyword><style  face="normal" font="default" size="100%">Marsdenia edulis</style></keyword><keyword><style  face="normal" font="default" size="100%">Phytochemical profiling</style></keyword><keyword><style  face="normal" font="default" size="100%">Underutilized species</style></keyword><keyword><style  face="normal" font="default" size="100%">Vincetoxicum rossicum</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%">March 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%">383-392</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; Gas chromatography coupled with mass spectrometry (GC-MS) was used to analyze for phytochemicals and bioactive compounds in three species of Apocynacae, &lt;em&gt;Gongronema latifolium&lt;/em&gt;, &lt;em&gt;Vincetoxicum rossicum&lt;/em&gt; and &lt;em&gt;Marsdenia edulis&lt;/em&gt; commonly found in tropical rainforest vegetation and used as food and traditional medicine by locals. &lt;strong&gt;Methods and Materials: &lt;/strong&gt;Phytochemical analysis and GC-MS were carried out using leaf samples of the species following standard protocols. Quantitative phytochemical data were analyzed using analysis of variance (ANOVA) and significance tested at 5% level of probability. Bioactive compounds were identified by comparing the retention times with those of authentic compounds and spectral data obtained from National Institute of Standards and Technology (NIST) library.&lt;strong&gt; Results: &lt;/strong&gt;Phytochemical analysis revealed presence of alkaloids, glycosides, tannins, saponins, terpenes, steroids, flavonoids and phenols. Among the three species, &lt;em&gt;Gongronema latifolium&lt;/em&gt; was highest in flavonoids (28.40 %), &lt;em&gt;Vincetoxicum rossicum&lt;/em&gt; was highest in steroids (17.25 %) while &lt;em&gt;Marsdenia edulis&lt;/em&gt; was highest in terpenoids (18.17 %). GC-MS profiling of the species revealed biologically functional compounds with therapeutic properties including linoleic acid, phytol, neophytadiene, n-hexadecanoic acid, squalene, transfarnesol, 5-pentadecen-7-yne, and mercaptoacetic acid. &lt;strong&gt;Conclusion: &lt;/strong&gt;The array of bioactive compounds present in the three species especially &lt;em&gt;Gongronema latifolium&lt;/em&gt;, commonly used as food indicated their utility in pharmacognosy and drug manufacture. This is the first report of GC-MS based metabolite profiling to detect the various bioactive compounds in methanolic extracts of &lt;em&gt;Vincetoxicum rossicum&lt;/em&gt; and &lt;em&gt;Marsdenia edulis&lt;/em&gt;. We therefore recommend these species for further study in drug discovery trials.&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%">383</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Peggy Willie&lt;sup&gt;1&lt;/sup&gt;, Edak A. Uyoh&lt;sup&gt;1&lt;/sup&gt;, Peter O. Aikpokpodion&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 Genetics and Biotechnology, Faculty of Biological Sciences, University of Calabar, PMB 1115 Cross River State, NIGERIA.&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%">Kokoette Bassey</style></author><author><style face="normal" font="default" size="100%">Patience Mamabolo</style></author><author><style face="normal" font="default" size="100%">Mmamosheledi Mothibe</style></author><author><style face="normal" font="default" size="100%">Freddy Muganza</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Phytochemical Profiling and Chemical Marker Compounds Identification in Helichrysum caespititium: A Chemometrics and 2D Gas Chromatography Time of Flight Mass Spectrometry (GCxGC-TOF-MS) 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%">Chemical markers</style></keyword><keyword><style  face="normal" font="default" size="100%">Chemometrics</style></keyword><keyword><style  face="normal" font="default" size="100%">GCxGC-TOF-MS</style></keyword><keyword><style  face="normal" font="default" size="100%">Helichrysum caespititium</style></keyword><keyword><style  face="normal" font="default" size="100%">Phytochemical profiling</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%">March 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%">486-494</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; &lt;em&gt;Helichrysum caespititium &lt;/em&gt;is a medicinal plant indigenous to South Africa. Hitherto, only 2 compounds- caespititin and 2-methyl-4-[2’,4’,6’-trihydroxy-3’-(2-methylpropanoyl)-phenyl] but-2-enyl acetate have been reported from this species. Phytochemical profiling of the plant and identification of chemical markers are limited. &lt;strong&gt;Objectives: &lt;/strong&gt;Determining phytochemical profile of &lt;em&gt;H. caespititium&lt;/em&gt; and identifying the major marker compounds in its extracts. &lt;strong&gt;Methods:&lt;/strong&gt; A two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GCxGC-TOF-MS) was used to analyze &lt;em&gt;H. caespititium &lt;/em&gt;extracts (acetone, methanol, and dichloromethane). The marker compounds from the generated phytochemical fingerprints were identified using Column plots and chemometrics orthogonal partial least squares discriminant analysis (OPLS-DA). Polar acetone, methanol, and non-polar dichloromethane extracts were analyzed separately. &lt;strong&gt;Results and Discussions:&lt;/strong&gt; A total of 135 (12 from acetone, 13 from methanol, and 110 from dichloromethane extracts) compounds were identified in &lt;em&gt;H. caespititium&lt;/em&gt;. An OPLSDA score plot with R&lt;sup&gt;2&lt;/sup&gt; = 0.81 grouped the polar compounds into 2 clusters as phenolic and non-phenolic compounds, while a contribution plot from the score plot then nominated benzene[(methoxymethoxy)]methyl, 4-methyl-2,4-bis(p-hydroxyphenyl)penet- 1-ene, isoeugenol, and 3 4-dihydroxymandelic acid as marker compounds in the polar extracts. In a second plot with R&lt;sup&gt;2&lt;/sup&gt; = 0.67, the corresponding contribution plot accentuated 2-methyl-5- (fur-3-yl) pent-3-en-2-ol, 3,5-dimethyl-4-heptanone, 1,2-benzenedicarboxylic acid, dihexyl-1-(4- methylphenyl)-5(2-dimethyl aminothenyl)-1H-tetrazole, and 3,5-dimethyl-4-heptanone as the marker compounds in the dichloromethane extract. &lt;strong&gt;Conclusion: &lt;/strong&gt;This study recommends the use of the marker compounds as quality standard of raw materials and commercial products containing extracts or other forms of the South African &lt;em&gt;H. caespititium&lt;/em&gt;.&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%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">486</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Kokoette Bassey&lt;sup&gt;1,&lt;/sup&gt;*, Patience Mamabolo&lt;sup&gt;1&lt;/sup&gt;, Mmamosheledi Mothibe&lt;sup&gt;2&lt;/sup&gt;, Freddy Muganza&lt;sup&gt;3,4&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Pharmaceutical Sciences Division, School of Pharmacy, Sefako Makgatho Health Sciences University. Molotlegi Street, Ga-Rankuwa 0204, Pretoria, SOUTH AFRICA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmacology; Faculty of Pharmacy, Rhodes University. Artillery Road, Grahamstown 6139, P. O. Box 94 Grahamstown 6140, SOUTH AFRICA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Bausch Health Pharmaceuticals, Steinbach, Manitoba, CANADA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Providence University College and Theological Seminary, Otterborne, Manitoba, CANADA.&lt;/p&gt;
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