<?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%">Sunadi</style></author><author><style face="normal" font="default" size="100%">Saddam Al Aziz</style></author><author><style face="normal" font="default" size="100%">Fadhilah Fitri</style></author><author><style face="normal" font="default" size="100%">Devni Prima Sari</style></author><author><style face="normal" font="default" size="100%">Muhammad Raffi Ghifari</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Nita Yessirita</style></author><author><style face="normal" font="default" size="100%">Oski Illiandri</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%">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%">Hepatitis E Inhibited by Rosmarinic Acid Extract from Clove Plant (Syzygium Aromaricum) through Computational 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%">Hepatitis E</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword><keyword><style  face="normal" font="default" size="100%">Rosmarinic acid</style></keyword><keyword><style  face="normal" font="default" size="100%">Syzygium aromaricum</style></keyword><keyword><style  face="normal" font="default" size="100%">Tyrosine FYN</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%">518-523</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 evaluate the potential of Rosmarinic Acid as an inhibitor against Hepatitis E by interacting with the active site of the Tyrosine FYN protein. Computational approaches were employed to predict the molecular interactions between Rosmarinic Acid and Tyrosine FYN. The research methodology involved the use of software such as Pymol, Pyrex, Protein Plus, and the Lepinski Rule. Docking analysis was conducted using Pymol to obtain information about the binding energy between Rosmarinic Acid and Tyrosine FYN. The results of the analysis showed that Rosmarinic Acid exhibited a Binding Affinity of -8.3, -8, and -7.9, indicating a strong affinity towards the target protein. Additionally, Root Mean Square Deviation (RMSD) values of 0, 15.905, and 17.014 were used to assess the stability of the formed protein-ligand complex. Analysis using Protein Plus revealed interactions between Rosmarinic Acid and Tyrosine FYN. Furthermore, analysis using the Lepinski Rule to examine the physicochemical properties of Rosmarinic Acid indicated that the molecule had a mass of 360, 5 hydrogen bond donors, 8 hydrogen bond acceptors, a log P value of 1.76, and a molar reactivity of 89.8. These findings highlight the potential of Rosmarinic Acid as an inhibitor of Hepatitis E through its interaction with the Tyrosine FYN protein, providing a basis for the development of potential new therapies in the treatment of this disease.&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%">518</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Sunadi1, Saddam Al Aziz&lt;sup&gt;2&lt;/sup&gt;, Fadhilah Fitri&lt;sup&gt;3&lt;/sup&gt;, Devni Prima Sari&lt;sup&gt;4&lt;/sup&gt;, Muhammad Raffi Ghifari&lt;sup&gt;5&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;6&lt;/sup&gt;, Nita&amp;nbsp;Yessirita&lt;sup&gt;7&lt;/sup&gt;, Oski Illiandri&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;, Putri Azhari&lt;sup&gt;11&lt;/sup&gt;, Rahadian Zainul&lt;sup&gt;6,12,*&lt;/sup&gt;, Viol&amp;nbsp;Dhea Kharisma&lt;sup&gt;13,14&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;15&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;16,17&lt;/sup&gt;, ANM Ansori&lt;sup&gt;13,15&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Agrotechnology Study Program, Faculty of Agriculture, Universitas Tamansiswa, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Mathematics Department, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Statistics Department, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Mathematics Department, Universitas Negeri Padang, Padang, 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 Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Agricultural Product Technology Study Program, Faculty of Agriculture, Universitas Ekasakti, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Department of Biomedicine, Faculty of Medicine, Universitas Lambung Mangkurat, Banjarmasin, South Kalimantan, 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;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;12&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;13&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;14&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;15&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;16&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;17&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%">Nita Yessirita</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Rollando Rollando</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%">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%">In Silico Study of Rhamnocitrin Extract from Clove Syzygium Aromaricum in Inhibiting Adenosine A1 Adenylate Cyclase 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%">Adenosine A1</style></keyword><keyword><style  face="normal" font="default" size="100%">Adenylate Cyclase inhibition</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword><keyword><style  face="normal" font="default" size="100%">Rhamnocitrin</style></keyword><keyword><style  face="normal" font="default" size="100%">Syzygium aromaricum</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%">512-517</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 Rhamnocitrin, a compound found in clove extract (Syzygium aromaticum), as an inhibitor of Adenylate Cyclase through an in-silico approach. The research method involves the use of software such as Pymol, PyRx, Protein Plus, and Lipinski Rule for molecular interaction analysis and physicochemical characterization of Rhamnocitrin. The analysis results show that Rhamnocitrin has significant affinity towards Adenosine A1 with Binding Affinity values of -6.1, -5.8, and -5.7. RMSD analysis indicates good stability of the formed protein-ligand complexes, with RMSD values of 0, 3.129, and 3.696. Analysis using Protein Plus software reveals the interaction between Rhamnocitrin and Adenosine A1, while the lipinski analysis shows physicochemical characteristics of Rhamnocitrin that meet important criteria, such as a mass of 300, 3 hydrogen bond donors, 6 hydrogen bond acceptors, log P of 2.6, and molar reactivity of 77.27. These findings provide new insights into the development of potential therapies involving clove extract and Rhamnocitrin as inhibitors of Adenylate Cyclase, and further research is needed to validate their effectiveness and safety.&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%">512</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Nita Yessirita&lt;sup&gt;1&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;2&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;3&lt;/sup&gt;, Rollando Rollando&lt;sup&gt;4&lt;/sup&gt;, Riso Sari Mandeli&lt;sup&gt;5&lt;/sup&gt;, Muhammad Thoriq Albari&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;Agricultural Product Technology Study Program, Faculty of Agriculture, Universitas Ekasakti, 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 Radiology, Universitas Awalbros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Program of Pharmacy, Faculty of Science and Technology, Universitas Ma Chung, Malang 65151, 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;Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, 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. 11Uttaranchal 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%">Ahmad Shobrun Jamil</style></author><author><style face="normal" font="default" size="100%">Prayogi Galie Saputro</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Docking and ADME Studies of Centella Asiatica as Anti Hyperuricemia</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%">Centella asiatica</style></keyword><keyword><style  face="normal" font="default" size="100%">Hyperuricemia</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%">384-389</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;Centella asiatica&lt;/em&gt; is a traditional natural medicine used in a number of Southeast Asian nations. (also known as &lt;em&gt;Centella asiatica&lt;/em&gt; L., Urb., or Gotu Kola). The aim of this study is to determine the antihyperuricemia properties of &lt;em&gt;Centella asiatica e&lt;/em&gt;xtract and the possibility that they will interact with the XDH enzyme. The XDH enzyme is one of three enzymes that can influence the onset of hyperuricemia with the other two are SLC22A12 and ABCG2. In this research, we employ a computational method in collaboration with a number of applications and databases. ADME analysis was carried on for some &lt;em&gt;Centella asiatica&lt;/em&gt; constituents to determine their similarities to the drug and bioavailability components. The analysis continued on with molecular docking between the chemical compounds and several enzymes related to hyperuricemia. According to the findings, &lt;em&gt;Centella asiatica&lt;/em&gt; contains active constituents that can be used as an alternative therapy for hyperuricemia.&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%">384</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Ahmad Shobrun Jamil*, Prayogi Galie Saputro&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;Department of Pharmacy, Faculty of Health Science, University of Muhammadiyah Malang Jl. Bendungan Sutami No.188, Sumbersari, Kecamatan Lowokwaru, Kota Malang, Jawa Timur 65145, 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%">Rizki Rahmadi Pratama</style></author><author><style face="normal" font="default" size="100%">Irawati Sholikhah</style></author><author><style face="normal" font="default" size="100%">Sukardiman</style></author><author><style face="normal" font="default" size="100%">Ram Kumar Sahu</style></author><author><style face="normal" font="default" size="100%">Retno Widyowati</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Phytochemical Compounds Identification From 70% Ethanol Extract of Arcangelesia Flava (L.) Merr Stems Using LC-MS/MS and In-Silico Molecular Docking Approach as Inhibitor Interleukin-1β</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%">Arcangelisia flava (L.) Merr</style></keyword><keyword><style  face="normal" font="default" size="100%">Inhibitor interleukin-1β</style></keyword><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></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%">528-534</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;Arcangelisia flava&lt;/em&gt; (L.) Merr has been traditionally used to treat jaundice, liver disease, diarrhea, fever, and inflammation. Judging from its potential, scientific evidence of this plant extract as an inhibitor of interleukin-1β is still lacking. This study aims to investigate the phytochemical compounds present in the 70% ethanol extract of &lt;em&gt;Arcangelesia flava &lt;/em&gt;stems by LC-MS/MS and to elucidate the ligand-protein interactions through &lt;em&gt;in-silico &lt;/em&gt;studies. The extract was found to contain alkaloids, flavonoids, furanoditerpene, hydroxyquinoline, phenylpropanoid, phenol, and fatty acids. According to molecular docking of the 15 compounds analyzed by LC-MS/MS, the compounds 3-hydroxy-3',4',5'-trimethoxyflavone (ΔG=-7.72 kcal/mol), fisisaine (ΔG=-6,91 kcal/mol), and demethyleneberberine (ΔG=-6.85 kcal/mol), which demonstrated the highest affinity for binding to the protein target. In addition, active amino acids contribute to this interaction by creating strong hydrogen bonds, such as MET148, LYS 103, and THR300. Phytochemical compounds from &lt;em&gt;Arcangelesia&lt;/em&gt; &lt;em&gt;flava&lt;/em&gt; may serve as adjunctive therapy or a promising source of advanced structures in drug discovery for treatments targeting interleukin-1β&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%">528</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;strong&gt;Rizki Rahmadi Pratama&lt;sup&gt;1&lt;/sup&gt;, Irawati Sholikhah&lt;sup&gt;2&lt;/sup&gt;, Sukardiman&lt;sup&gt;3&lt;/sup&gt;, Ram Kumar Sahu&lt;sup&gt;4&lt;/sup&gt;, Retno Widyowati&lt;sup&gt;3,*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p&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&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Chemistry, Faculty of Sains and Technology, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmaceutical Sciences, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Pharmaceutical Sciences, Hemvati Nandan Bahuguna Garhwal University (HNBGU) Srinagar Garhwal, Uttarakhand State, 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%">Rahadian Zainul</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Ritbey Ruga</style></author><author><style face="normal" font="default" size="100%">Muhammad Arya Ghifari</style></author><author><style face="normal" font="default" size="100%">Devi Purnamasari</style></author><author><style face="normal" font="default" size="100%">Putri Azhari</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%">Stimulation of Emodin from Aloe Vera on Protein Kinase PIM1 in the Central Nervous System Through 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%">Central Nervous System</style></keyword><keyword><style  face="normal" font="default" size="100%">Emodin</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword><keyword><style  face="normal" font="default" size="100%">PIM1 Kinase</style></keyword><keyword><style  face="normal" font="default" size="100%">Stimulation</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%">587-592</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 Emodin, a compound found in Aloe vera, as a stimulator of Protein Kinase PIM1 in the central nervous system using an &lt;em&gt;in-silico &lt;/em&gt;approach. The research method involves the use of software such as Pymol, Pyrex, Protein Plus, and Lepinski Rule. Firstly, the protein structure of the target Protein Kinase PIM1 was obtained from a protein database and prepared using Pymol. Next, the molecular structure of Emodin was imported into Pyrex and subjected to geometry optimization. Docking analysis using Pymol was performed to predict the molecular interactions between Emodin and Protein Kinase PIM1. Additionally, RMSD analysis was conducted to evaluate the stability of the protein-ligand complex formed. The docking analysis results showed that Emodin exhibited significant Binding Affinity, with values of -8.4, -8.3, and -8.2, indicating a strong affinity between Emodin and Protein Kinase PIM1. The RMSD analysis indicated the stability of the protein-ligand complex, with RMSD values of 0, 1.101, and 1.122. Furthermore, analysis using Protein Plus revealed the presence of interactions between Emodin and Protein Kinase PIM1 through hydrogen bonding and hydrophobic contacts. The results of the Lepinski Rule analysis demonstrated that Emodin fulfilled several important criteria in drug design, including a molecular weight of 270, 3 hydrogen bond donors, 5 hydrogen bond acceptors, a log p value of 1.887220, and a molar reactivity of 64.480385. These findings indicate the potential of Emodin as a stimulator of Protein Kinase PIM1 in the central nervous system and provide an important foundation for the development of potential therapies for central nervous system-related disorders.&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%">587</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;3&lt;/sup&gt;, Ritbey Ruga&lt;sup&gt;4&lt;/sup&gt;, Muhammad Arya Ghifari&lt;sup&gt;5&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;6&lt;/sup&gt;, Putri Azhari&lt;sup&gt;7&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;8,9&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;10&lt;/sup&gt;, Maksim Rebezov&lt;sup&gt;11,12&lt;/sup&gt;, ANM Ansori&lt;sup&gt;8,9,10&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;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 Biology, 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;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;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 Radiology, Universitas Awalbros, Pekanbaru, 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;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&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;11&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;12&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%">AF Dibha</style></author><author><style face="normal" font="default" size="100%">S Wahyuningsih</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author><author><style face="normal" font="default" size="100%">VD Kharisma</style></author><author><style face="normal" font="default" size="100%">MH Widyananda</style></author><author><style face="normal" font="default" size="100%">AA Parikesit</style></author><author><style face="normal" font="default" size="100%">MT Sibero</style></author><author><style face="normal" font="default" size="100%">RT Probojati</style></author><author><style face="normal" font="default" size="100%">AAA Murtadlo</style></author><author><style face="normal" font="default" size="100%">JP Trinugroho</style></author><author><style face="normal" font="default" size="100%">TH Sucipto</style></author><author><style face="normal" font="default" size="100%">DDR Turista</style></author><author><style face="normal" font="default" size="100%">I Rosadi</style></author><author><style face="normal" font="default" size="100%">ME Ullah</style></author><author><style face="normal" font="default" size="100%">V Jakhmola</style></author><author><style face="normal" font="default" size="100%">R Zainul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Utilization of Secondary Metabolites in Algae Kappaphycus alvarezii as a Breast Cancer Drug with a Computational Method</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%">Breast cancer</style></keyword><keyword><style  face="normal" font="default" size="100%">K. alvarezii</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword><keyword><style  face="normal" font="default" size="100%">NF kB protein kinase</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%">June 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%">536-543</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;Breast cancer is one of the worst diseases that affect female people. Long-term treatment with therapy or surgery has a detrimental impact on the patient. The algae &lt;em&gt;Kappaphycus alvarezii&lt;/em&gt; has gotten a lot of interest as a breast cancer medication because it contains chemicals that are expected to be anti-cancer. The objectives of this paper were to see how secondary metabolites in algae interact with the Nuclear Factor- kappaB protein kinase in breast cancer. The ligands and proteins were obtained from the PubChem and PDB websites, respectively. Swiss ADME was then used to assess the Pharmacokinetics and Drug likeness Properties. The last stage involved using molecular docking with PyRx and molecular dynamics to identify the interaction and visualization between the ligand and the target protein. The findings of the test revealed that the maraniol chemical had a superior binding capacity with NF kB protein kinase because it has a chromone group that controls transport efficiently in preventing breast cancer proliferation.&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><accession-num><style face="normal" font="default" size="100%">08</style></accession-num><section><style face="normal" font="default" size="100%">536</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;AF Dibha&lt;sup&gt;1&lt;/sup&gt;, S Wahyuningsih&lt;sup&gt;2&lt;/sup&gt;, ANM Ansori&lt;sup&gt;3&lt;/sup&gt;, VD Kharisma&lt;sup&gt;4&lt;/sup&gt;, MH Widyananda&lt;sup&gt;4,5&lt;/sup&gt;, AA Parikesit&lt;sup&gt;6&lt;/sup&gt;, MT Sibero&lt;sup&gt;7&lt;/sup&gt;, RT Probojati&lt;sup&gt;4,8&lt;/sup&gt;, AAA Murtadlo&lt;sup&gt;4&lt;/sup&gt;, JP Trinugroho&lt;sup&gt;9&lt;/sup&gt;, TH Sucipto&lt;sup&gt;10&lt;/sup&gt;, DDR Turista&lt;sup&gt;11&lt;/sup&gt;, I Rosadi&lt;sup&gt;12&lt;/sup&gt;, ME Ullah&lt;sup&gt;13,&lt;/sup&gt; V Jakhmola&lt;sup&gt;14&lt;/sup&gt;, R Zainul&lt;sup&gt;15,16,*&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, Brawijaya University, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Faculty of Biology, Gadjah Mada University, Yogyakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Professor Nidom Foundation, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Department of Bioinformatics, School of Life Sciences, Indonesia International Institute for Life Sciences, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Marine Science, Faculty of Fisheries and Marine Science, Universitas Diponegoro, Semarang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Faculty of Agriculture, Universitas Kadiri, Kediri, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Department of Life Sciences, Imperial College London, South Kensington Campus, London, UNITED KINGDOM.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Biology Education Department, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Department of Biology, Faculty of Mathematics and Natural Sciences, Mulawarman University, Samarinda, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Department of Chemistry, Mississippi State University, Mississippi State, UNITED STATES.&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 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;16&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, 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%">Mohind C. Mohan</style></author><author><style face="normal" font="default" size="100%">Anu P. Abhimannue</style></author><author><style face="normal" font="default" size="100%">Prakash Kumar B</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Identification and Characterization of Berberine in Tinospora cordifolia by Liquid Chromatography Quadrupole Time of Flight Mass Spectrometry (LC MS/MS Q-tof) and Evaluation of its anti Inflammatory Potential</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 Lipoxygenase</style></keyword><keyword><style  face="normal" font="default" size="100%">Berberine</style></keyword><keyword><style  face="normal" font="default" size="100%">Mass spectrometry</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword><keyword><style  face="normal" font="default" size="100%">Tinospora cordifolia</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%">April 2017 </style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">/files/PJ-9-3/10.5530pj.2017.3.59</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">9</style></volume><pages><style face="normal" font="default" size="100%">350-355</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;Introduction:&lt;/strong&gt; &lt;em&gt;Tinospora cordifolia&lt;/em&gt; (Willd.) Miers ex Hook F and Thomas commonly called as gudduchi or amrita is a widely used plant in traditional medicinal system of Ayurveda. A UPLC MS/MS Q-tof method for the identification and characterization of berberine in &lt;em&gt;Tinospora cordifolia&lt;/em&gt; (Willd.) Miers. ex HooK.F. and Thomas. and to evaluate the anti inflammatory potential of bioactive fraction. &lt;strong&gt;Materials and Methods:&lt;/strong&gt; The presence of berberine in &lt;em&gt;Tinospora cordifolia&lt;/em&gt; was determined by HPLC and was subsequently isolated by HPTLC. The anti inflammatory property of the fraction containing berberine was demonstrated to have an inhibitory activity on 5 lipoxygenase, an enzyme involved in inflammatory pathway and its IC&lt;sub&gt;50&lt;/sub&gt; value was obtained. The binding interactions between berberine and 5-LOX were demonstrated by docking studies. &lt;strong&gt;Result:&lt;/strong&gt; The presence of berberine in &lt;em&gt;Tinospora cordifolia&lt;/em&gt; methanolic extract was identified by HPLC and HPTLC analysis and confirmed by UPLC MS/ MS Q-tof. The fraction containing berberine inhibited 5-LOX with an IC&lt;sub&gt;50&lt;/sub&gt; of 0.041&amp;plusmn; 0.0003&amp;mu;g/mL as compared to that of NDGA (positive control) which showed an IC&lt;sub&gt;50&lt;/sub&gt; of 2.75 &amp;plusmn; 0.05 &amp;mu;g/mL. Molecular docking of berberine with 5-LOX showed a binding energy of -8.942 &amp;plusmn; 0.039665 kcal/mol and Ki of 273.16 &amp;plusmn; 3.026 nM as compared to the NDGA which has a binding energy of -7.186 &amp;plusmn; 0.170503 kcal/mol and Ki 5.604&amp;plusmn; 1.618 &amp;mu;M. &lt;strong&gt;Conclusion:&lt;/strong&gt; &lt;em&gt;Tinospora cordifolia&lt;/em&gt; can be used as a source of berberine and possible anti inflammatory activity of &lt;em&gt;Tinospora cordifolia&lt;/em&gt; may be attributed to the presence of berberine.&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%">350</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Mohind C. Mohan, Anu P. Abhimannue, Prakash Kumar B&lt;sup&gt;* &lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;Inflammation Research Lab, School of Biosciences, Mahatma Gandhi University, Kerala, INDIA.&lt;/p&gt;</style></auth-address></record></records></xml>