<?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%">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%">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%">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%">Elsa Yanuarti</style></author><author><style face="normal" font="default" size="100%">Siti Amiroch</style></author><author><style face="normal" font="default" size="100%">Muhammad Thoriq Albari</style></author><author><style face="normal" font="default" size="100%">Rismi Verawati</style></author><author><style face="normal" font="default" size="100%">Amalia Putri Lubis</style></author><author><style face="normal" font="default" size="100%">AAA Murtadlo</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Interaction of Masilinic Acid from Clove Plant (Syzygium aromaticum) with CD81 Antigen in Inhibiting HIV Virus Regulation In Silico</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%">CD81 antigen</style></keyword><keyword><style  face="normal" font="default" size="100%">Clove plant</style></keyword><keyword><style  face="normal" font="default" size="100%">HIV virus</style></keyword><keyword><style  face="normal" font="default" size="100%">In Silico.</style></keyword><keyword><style  face="normal" font="default" size="100%">Masilinic 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%">484-488</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 explores the interaction of Masilinic Acid from the clove plant (&lt;em&gt;Syzygium aromaticum&lt;/em&gt;) with the CD81 antigen to inhibit HIV virus regulation &lt;em&gt;in silico&lt;/em&gt;. Using computational methods such as Pymol, Pyrex, and Protein Plus, we demonstrate that Masilinic Acid can significantly interact with the CD81 antigen. The obtained data shows binding affinities of -6.4, -6.2, and -5.7, and RMSD values of 0, 1.885, and 1.952. Further detailed interaction analysis with Protein Plus strengthens these findings, providing evidence of a strong interaction between Masilinic Acid and the CD81 antigen. This study also includes the testing of the Lepinski Rule of Five to assess the potential of Masilinic Acid as a drug candidate, with results indicating a mass of 472, three hydrogen bond donors, four hydrogen bond acceptors, a log P value of 6.2, and a molar reactivity of 134. These results indicate that Masilinic Acid has the potential as an inhibitor of the CD81-HIV interaction, which can be utilized as an effective antiviral strategy. Key words: Masilinic Acid, Clove plant, CD81 antigen, HIV virus, &lt;em&gt;In silico.&lt;/em&gt;&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%">484</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;, Elsa Yanuarti&lt;sup&gt;3&lt;/sup&gt;, Siti Amiroch&lt;sup&gt;4&lt;/sup&gt;, Muhammad Thoriq Albari&lt;sup&gt;5&lt;/sup&gt;, Rismi Verawati&lt;sup&gt;6&lt;/sup&gt;, Amalia Putri Lubis&lt;sup&gt;1&lt;/sup&gt;, AAA Murtadlo&lt;sup&gt;6,7&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, 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 Science, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Mathematics, Faculty of Mathematics and Natural Sciences, Universitas Islam Darul 'Ulum, Lamongan, 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;Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Generasi Biologi Indonesia Foundation, Gresik, 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%">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%">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%">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></records></xml>