<?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%">Nur Sofiatul Aini</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Muhammad Hermawan Widyananda</style></author><author><style face="normal" font="default" size="100%">Ahmad Affan Ali Murtadlo</style></author><author><style face="normal" font="default" size="100%">Rasyadan Taufiq Probojati</style></author><author><style face="normal" font="default" size="100%">Dora Dayu Rahma Turista</style></author><author><style face="normal" font="default" size="100%">Muhammad Badrut Tamam</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</style></author><author><style face="normal" font="default" size="100%">Dony Novaliendry</style></author><author><style face="normal" font="default" size="100%">Riso Sari Mandeli</style></author><author><style face="normal" font="default" size="100%">Budhi Oktavia</style></author><author><style face="normal" font="default" size="100%">Muhammad Thoriq Albari</style></author><author><style face="normal" font="default" size="100%">Saddam Al Aziz</style></author><author><style face="normal" font="default" size="100%">Muhammad Raffi Ghifari</style></author><author><style face="normal" font="default" size="100%">Okta Suryani</style></author><author><style face="normal" font="default" size="100%">Putri Azhari</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%">Agariadne Dwinggo Samala</style></author><author><style face="normal" font="default" size="100%">Mirella Fonda Maahury</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author><author><style face="normal" font="default" size="100%">Rahadian Zainul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Bioactive Compounds from Purslane (Portulaca oleracea L.) and Star Anise (Illicium verum Hook) as SARS-CoV-2 Antiviral Agent via Dual Inhibitor Mechanism: In Silico Approach</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Antiviral agent</style></keyword><keyword><style  face="normal" font="default" size="100%">Illicium verum Hook</style></keyword><keyword><style  face="normal" font="default" size="100%">in silico</style></keyword><keyword><style  face="normal" font="default" size="100%">Portulaca oleracea L.</style></keyword><keyword><style  face="normal" font="default" size="100%">SARS-CoV-2</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 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%">352-357</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;Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes the COVID-19 pandemic that infects humans and attacks the body's immune system. The purpose of the study was to identify the potential of bioactive compounds in purslane (&lt;em&gt;Portulaca oleracea&lt;/em&gt; L.) and star anise (&lt;em&gt;Illicium verum&lt;/em&gt; Hook) via a dual inhibitor mechanism against SARS-CoV-2 proteases with an&lt;em&gt; in silico &lt;/em&gt;approach. The samples were obtained from PubChem and RSCB PDB. Antivirus probability prediction was performed on PASS Online. Virtual screening was performed with PyRx via molecular docking. Visualization was used by PyMol and Discovery Studio. Compounds with the best antiviral potential are indicated by the low binding affinity value to the target proteins, namely SARS-CoV-2 TMPRSS2 and PLpro. The results showed that purslane luteolin has the best antiviral potential. However, further studies are required to validate this computational prediction.&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><accession-num><style face="normal" font="default" size="100%">14</style></accession-num><section><style face="normal" font="default" size="100%">352</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Nur Sofiatul Aini&lt;sup&gt;1&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;2&lt;/sup&gt;, Muhammad Hermawan Widyananda&lt;sup&gt;2,3&lt;/sup&gt;, Ahmad Affan Ali Murtadlo&lt;sup&gt;2&lt;/sup&gt;, Rasyadan Taufiq Probojati&lt;sup&gt;2,4&lt;/sup&gt;, Dora Dayu Rahma Turista&lt;sup&gt;5&lt;/sup&gt;, Muhammad Badrut Tamam&lt;sup&gt;6&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;7&lt;/sup&gt;, Dony Novaliendry&lt;sup&gt;8,9&lt;/sup&gt;, Riso Sari Mandeli&lt;sup&gt;8,10&lt;/sup&gt;, Budhi Oktavia&lt;sup&gt;8,11&lt;/sup&gt;, Muhammad Thoriq Albari&lt;sup&gt;8,12&lt;/sup&gt;, Saddam Al Aziz&lt;sup&gt;8,13&lt;/sup&gt;, Muhammad Raffi Ghifari&lt;sup&gt;8,12&lt;/sup&gt;, Okta Suryani&lt;sup&gt;8,11&lt;/sup&gt;, Putri Azhari&lt;sup&gt;8,14&lt;/sup&gt;, Muhammad Arya Ghifari&lt;sup&gt;8,12&lt;/sup&gt;, Devi Purnamasari&lt;sup&gt;8,15,&lt;/sup&gt; Agariadne Dwinggo Samala&lt;sup&gt;8,16&lt;/sup&gt;, Mirella Fonda Maahury&lt;sup&gt;17&lt;/sup&gt;, ANM Ansori&lt;sup&gt;18&lt;/sup&gt;, Rahadian Zainul&lt;sup&gt;8,11,*&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 Mathematics and Natural Sciences, State University of Surabaya, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&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;3&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;4&lt;/sup&gt;Faculty of Agriculture, Universitas Kadiri, Kediri, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&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;6&lt;/sup&gt;Department of Biology, Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&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;8&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMP-BIOTICS), Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Study Program of Informatics, Faculty of Engineering, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Environmental Science, Postgraduate Programme, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&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;12&lt;/sup&gt;Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Department Mathematics Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;14&lt;/sup&gt;Department of Agricultural Technology, Faculty of Agricultural Technology, Andalas University, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;15&lt;/sup&gt;Department of Radiology Engineering, Universitas Awal Bros, Pekanbaru, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;16&lt;/sup&gt;Department Informatics and Computer Engineering Education, Faculty of Engineering, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;17&lt;/sup&gt;Chemistry Department, Faculty Mathematics and Natural Sciences, Universitas Pattimura, Ambon, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;18&lt;/sup&gt;Professor Nidom Foundation, Surabaya, INDONESIA&lt;/p&gt;
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