In Silico Identification of Clinically Approved Medicines Against the main Protease of Sars-Cov-2 – A Causative Agent of Covid-19
نویسندگان
چکیده
The COVID-19 pandemic triggered by SARS-CoV-2 is a worldwide health disaster. Main protease an attractive drug target among coronaviruses, due to its vital role in processing the polyproteins that are translated from viral RNA. There presently no exact or treatment for this disease caused SARS-CoV-2.Speeding up innovation immediately required. In present study, we report potential inhibitory activity of some FDA approved drugs against main molecular docking study investigate their binding affinity active sites. Total 47 were selected with protease. site protein was performed using AutoDock software. Docking achieved attain population conformations and alignments ligand at site. revealed great efficacy one anti-H1N1 (Oseltamivir), anti-TB (Rifampin), four anti-HIV (Maraviroc, Etravirine, Indinavir, Rilpivirine) seven anti- malarial (Atovaquone, Quinidine, Halofantrine, Amodiaquine, Tetracylcine, Azithromycin, hydroxycholoroquine) found since they could launch H2 bonds different amino acid residues inhibition higher ranging (-10.67 -8.3 kcal/mol). However, in-silico abilities molecules tested further needs be validated carrying out vitro vivo studies. Moreover, spreads use current considered used comprise fast expanding infection.
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ژورنال
عنوان ژورنال: International journal of life science and pharma research
سال: 2022
ISSN: ['2250-0480']
DOI: https://doi.org/10.22376/ijpbs/lpr.2021.11.1.l107-122