<?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%">Priscilla Listiyani</style></author><author><style face="normal" font="default" size="100%">Viol Dhea Kharisma</style></author><author><style face="normal" font="default" size="100%">Arif Nur Muhammad Ansori</style></author><author><style face="normal" font="default" size="100%">Muhammad Hermawan Widyananda</style></author><author><style face="normal" font="default" size="100%">Rasyadan Taufiq Probojati</style></author><author><style face="normal" font="default" size="100%">Ahmad Affan Ali Murtadlo</style></author><author><style face="normal" font="default" size="100%">Dora Dayu Rahma Turista</style></author><author><style face="normal" font="default" size="100%">Md. Emdad Ullah</style></author><author><style face="normal" font="default" size="100%">Vikash Jakhmola</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%">In Silico Phytochemical Compounds Screening of Allium sativum Targeting the Mpro of SARS-CoV-2</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">June 2022</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">604-609</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;The global pandemic of coronavirus disease is still widely spread across the world causing catastrophic effect in both human life and global economy. By the end of year 2021, it has caused a total of 5.437.636 deaths across the world. Indonesia has rich plant biodiversity including medicinal plants that may be used for combating the virus. One of the commonly used medicinal plants comes from Allium species and it has been proved to have antiviral activity. Conducting an&lt;em&gt; in silico &lt;/em&gt;study, we screened bioactive compounds that came from &lt;em&gt;Allium sativum&lt;/em&gt; to fight against coronavirus through the inhibition of 3CL-Pro, one of the major protease that have an active role for viral replication. Molecular docking of compounds from &lt;em&gt;Allium sativum&lt;/em&gt; to 3CL-Pro resulting in the discovery of 5 compounds that have the best binding affinity to 3CL-Pro, which are squalene, 1,4-dihydro-2,3-benzoxathiin 3-oxide, 1,2,3-propanetriyl ester, trans-13-octadecenoic acid and methyl-11-hexadecenoate with binding affinity of -7, -6.5, -5.9, -5.7 and -5.6 kcal/mol, respectively. It is very likely that these compounds can be candidates for therapeutic agents and these candidates need to be studied further.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><accession-num><style face="normal" font="default" size="100%">18</style></accession-num><section><style face="normal" font="default" size="100%">604</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Priscilla Listiyani&lt;sup&gt;1&lt;/sup&gt;, Viol Dhea Kharisma&lt;sup&gt;1&lt;/sup&gt;, Arif Nur Muhammad Ansori&lt;sup&gt;2&lt;/sup&gt;, Muhammad Hermawan Widyananda&lt;sup&gt;1,3&lt;/sup&gt;, Rasyadan Taufiq Probojati&lt;sup&gt;1,4&lt;/sup&gt;, Ahmad Affan Ali Murtadlo&lt;sup&gt;1&lt;/sup&gt;, Dora Dayu Rahma Turista&lt;sup&gt;5&lt;/sup&gt;, Md. Emdad Ullah&lt;sup&gt;6&lt;/sup&gt;, Vikash Jakhmola&lt;sup&gt;7&lt;/sup&gt;, Rahadian Zainul&lt;sup&gt;8,9,*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Division of Molecular Biology and Genetics, Genera si Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Professor Nidom Foundation, Surabaya, 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 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 Chemistry, Mississippi State University, Mississippi State, UNITED STATES.&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;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;9&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;
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