<?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%">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%">AF Dibha</style></author><author><style face="normal" font="default" size="100%">S Wahyuningsih</style></author><author><style face="normal" font="default" size="100%">ANM Ansori</style></author><author><style face="normal" font="default" size="100%">VD Kharisma</style></author><author><style face="normal" font="default" size="100%">MH Widyananda</style></author><author><style face="normal" font="default" size="100%">AA Parikesit</style></author><author><style face="normal" font="default" size="100%">MT Sibero</style></author><author><style face="normal" font="default" size="100%">RT Probojati</style></author><author><style face="normal" font="default" size="100%">AAA Murtadlo</style></author><author><style face="normal" font="default" size="100%">JP Trinugroho</style></author><author><style face="normal" font="default" size="100%">TH Sucipto</style></author><author><style face="normal" font="default" size="100%">DDR Turista</style></author><author><style face="normal" font="default" size="100%">I Rosadi</style></author><author><style face="normal" font="default" size="100%">ME Ullah</style></author><author><style face="normal" font="default" size="100%">V Jakhmola</style></author><author><style face="normal" font="default" size="100%">R Zainul</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Utilization of Secondary Metabolites in Algae Kappaphycus alvarezii as a Breast Cancer Drug with a Computational Method</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Breast cancer</style></keyword><keyword><style  face="normal" font="default" size="100%">K. alvarezii</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword><keyword><style  face="normal" font="default" size="100%">NF kB protein kinase</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">June 2022</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">536-543</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;Breast cancer is one of the worst diseases that affect female people. Long-term treatment with therapy or surgery has a detrimental impact on the patient. The algae &lt;em&gt;Kappaphycus alvarezii&lt;/em&gt; has gotten a lot of interest as a breast cancer medication because it contains chemicals that are expected to be anti-cancer. The objectives of this paper were to see how secondary metabolites in algae interact with the Nuclear Factor- kappaB protein kinase in breast cancer. The ligands and proteins were obtained from the PubChem and PDB websites, respectively. Swiss ADME was then used to assess the Pharmacokinetics and Drug likeness Properties. The last stage involved using molecular docking with PyRx and molecular dynamics to identify the interaction and visualization between the ligand and the target protein. The findings of the test revealed that the maraniol chemical had a superior binding capacity with NF kB protein kinase because it has a chromone group that controls transport efficiently in preventing breast cancer proliferation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><accession-num><style face="normal" font="default" size="100%">08</style></accession-num><section><style face="normal" font="default" size="100%">536</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;AF Dibha&lt;sup&gt;1&lt;/sup&gt;, S Wahyuningsih&lt;sup&gt;2&lt;/sup&gt;, ANM Ansori&lt;sup&gt;3&lt;/sup&gt;, VD Kharisma&lt;sup&gt;4&lt;/sup&gt;, MH Widyananda&lt;sup&gt;4,5&lt;/sup&gt;, AA Parikesit&lt;sup&gt;6&lt;/sup&gt;, MT Sibero&lt;sup&gt;7&lt;/sup&gt;, RT Probojati&lt;sup&gt;4,8&lt;/sup&gt;, AAA Murtadlo&lt;sup&gt;4&lt;/sup&gt;, JP Trinugroho&lt;sup&gt;9&lt;/sup&gt;, TH Sucipto&lt;sup&gt;10&lt;/sup&gt;, DDR Turista&lt;sup&gt;11&lt;/sup&gt;, I Rosadi&lt;sup&gt;12&lt;/sup&gt;, ME Ullah&lt;sup&gt;13,&lt;/sup&gt; V Jakhmola&lt;sup&gt;14&lt;/sup&gt;, R Zainul&lt;sup&gt;15,16,*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Faculty of Biology, Gadjah Mada University, Yogyakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Professor Nidom Foundation, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Department of Bioinformatics, School of Life Sciences, Indonesia International Institute for Life Sciences, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Marine Science, Faculty of Fisheries and Marine Science, Universitas Diponegoro, Semarang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Faculty of Agriculture, Universitas Kadiri, Kediri, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Department of Life Sciences, Imperial College London, South Kensington Campus, London, UNITED KINGDOM.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Biology Education Department, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Department of Biology, Faculty of Mathematics and Natural Sciences, Mulawarman University, Samarinda, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Department of Chemistry, Mississippi State University, Mississippi State, UNITED STATES.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;14&lt;/sup&gt;Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;15&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;16&lt;/sup&gt;Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, INDONESIA.&lt;/p&gt;
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