02461nas a2200445   4500008004100000024000700041245011500048210006900163260001700232300001200249490000700261520109400268653002001362653002701382653001401409653001501423100002401438700002501462700003501487700003101522700003201553700003001585700002801615700002101643700001901664700002101683700002901704700002901733700002401762700002801786700002201814700001901836700002501855700001801880700002001898700001601918700002001934700002101954856004001975       2022                        eng d  a1600aIn Silico Screening of Bioactive Compounds from Garcinia mangostana L. Against SARS-CoV-2 via Tetra Inhibitors0 aIn Silico Screening of Bioactive Compounds from Garcinia mangost  cOctober 2022  a575-5790 v143 a<p class="rtejustify">The global COVID-19 pandemic caused by SARS-CoV-2 has been the resulted of massive human deaths since early 2020. The purpose of this study was to determine the potential of mangosteen (<em>Garcinia mangostana </em>L.) as an inhibitor of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an<em> in silico </em>approach. The samples were obtained from PubChem and RCSB PDB. Analysis of the similarity of the drug was carried out with the Swiss ADME on the basis of Lipinski rule of five. Prediction of antivirus probabilities was carried out using PASS Online. Molecular screening was performed using PyRx through molecular docking. Discovery Studio was used for visualization. The bioactive compounds with the highest antiviral potential were indicated with the lowest binding affinity to the targeted proteins RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. The results indicated that mangiferin has the greatest potential as a potential antiviral. However, more research is required to validate the results of these computational predictions.</p>
10aAntiviral agent10aGarcinia mangostana L.10ain silico10aSARS-CoV-21 aAini, Nur, Sofiatul1 aKharisma, Viol, Dhea1 aWidyananda, Muhammad, Hermawan1 aMurtadlo, Ahmad, Affan Ali1 aProbojati, Rasyadan, Taufiq1 aTurista, Dora, Dayu Rahma1 aTamam, Muhammad, Badrut1 aJakhmola, Vikash1 aYuniarti, Elsa1 aAziz, Saddam, Al1 aGhifari, Muhammad, Raffi1 aAlbari, Muhammad, Thoriq1 aMandeli, Riso, Sari1 aGhifari, Muhammad, Arya1 aPurnamasari, Devi1 aOktavia, Budhi1 aLubis, Amalia, Putri1 aAzra, Fajriah1 aFitri, Fadhilah1 aAnsori, ANM1 aRebezov, Maksim1 aZainul, Rahadian  uhttps://www.phcogj.com/article/1873