<?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%">ANM Ansori</style></author><author><style face="normal" font="default" size="100%">VD Kharisma</style></author><author><style face="normal" font="default" size="100%">AA Parikesit</style></author><author><style face="normal" font="default" size="100%">FA Dian</style></author><author><style face="normal" font="default" size="100%">RT Probojati</style></author><author><style face="normal" font="default" size="100%">M Rebezov</style></author><author><style face="normal" font="default" size="100%">P Scherbakov</style></author><author><style face="normal" font="default" size="100%">P Burkov</style></author><author><style face="normal" font="default" size="100%">G Zhdanova</style></author><author><style face="normal" font="default" size="100%">A Mikhalev</style></author><author><style face="normal" font="default" size="100%">Y Antonius</style></author><author><style face="normal" font="default" size="100%">MRF Pratama</style></author><author><style face="normal" font="default" size="100%">NI Sumantri</style></author><author><style face="normal" font="default" size="100%">TH Sucipto</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%">Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach</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%">February 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%">85-90</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) is the virus that causes COVID-19 which is responsible for respiratory illness infection in humans. The virus was first identified in China in 2019 and later spread to other countries worldwide. This study aims to identify the bioactive compounds from mangosteen (&lt;em&gt;Garcinia mangostana &lt;/em&gt;L.) as an antiviral agent via dual inhibitor mechanisms against two SARS-CoV-2 proteases through the &lt;em&gt;in silico &lt;/em&gt;approach. The three-dimensional structure of various bioactive compounds of mangosteen from the database was examined. Furthermore, all the target compounds were analyzed for drug, antiviral activity prediction, virtual screening, molecular interactions, and threedimensional structure visualization. It aimed to determine the potential of the bioactive compounds from mangosteen that can serve as antiviral agents to fight SARS-CoV-2. Results showed that the bioactive compounds from mangosteen have the prospective to provide antiviral agents that contradict the virus via dual inhibitory mechanisms. In summary, the binding of the various bioactive compounds from mangosteen results in low binding energy and is expected to have the ability to induce any activity of the target protein binding reaction. Therefore, it allows various bioactive compounds from mangosteen to act as dual inhibitory mechanisms for COVID-19 infection.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Key words:&lt;/strong&gt; Antiviral agent, COVID-19, &lt;em&gt;Garcinia mangostana&lt;/em&gt; L., In silico approach, SARS-CoV-2.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">85</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;ANM Ansori&lt;sup&gt;1&lt;/sup&gt;, VD Kharisma&lt;sup&gt;2&lt;/sup&gt;, AA Parikesit&lt;sup&gt;3&lt;/sup&gt;, FA Dian&lt;sup&gt;4&lt;/sup&gt;, RT Probojati&lt;sup&gt;5&lt;/sup&gt;, M Rebezov&lt;sup&gt;6,7&lt;/sup&gt;, P Scherbakov&lt;sup&gt;8&lt;/sup&gt;, P Burkov&lt;sup&gt;9&lt;/sup&gt;, G Zhdanova7, A Mikhalev&lt;sup&gt;7&lt;/sup&gt;, Y Antonius&lt;sup&gt;10&lt;/sup&gt;, MRF Pratama&lt;sup&gt;11,12&lt;/sup&gt;, NI Sumantri&lt;sup&gt;13&lt;/sup&gt;, TH Sucipto&lt;sup&gt;14&lt;/sup&gt;, R Zainul&lt;sup&gt;15&lt;/sup&gt;,*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Doctoral Program of Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Master Program of Biology, 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;3&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;4&lt;/sup&gt;Department of Biochemistry and Biotechnology, Faculty of Agronomy, Horticulture and Bioengineering, Poznan University of Life Sciences, Poznan, POLAND.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Faculty of Agriculture, Universitas Kadiri, Kediri, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Department of Infectious Diseases and Veterinary, South Ural State Agrarian University, Troitsk, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;9&lt;/sup&gt;Center for Biotechnology of Animal Reproduction, South Ural State Agrarian University, Troitsk, RUSSIAN FEDERATION.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;10&lt;/sup&gt;Faculty of Biotechnology, University of Surabaya, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;11&lt;/sup&gt;Doctoral Program of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;12&lt;/sup&gt;Department of Pharmacy, Faculty of Health Sciences, Universitas Muhammadiyah Palangkaraya, Palangka Raya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;13&lt;/sup&gt;Biomedical Engineering Study Program, Department of Electrical Engineering, Faculty of Engineering, Universitas Indonesia, Depok, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;14&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;15&lt;/sup&gt;Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, 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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