<?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;
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