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It exhibits 2\u2019O-methyl-transferase (2\u2019O-MTase) activity of NSP16 using methyl group from S-adenosyl methionine (SAM) by methylating the 5-end of virally encoded mRNAs and shields viral RNA, and also controls its replication as well as infection. In the present study, we used in silico approaches of drug repurposing to target and inhibit the SAM binding site in NSP16 using Food and Drug Administration (FDA)-approved small molecules set from Drug Bank database. Among the 2\u2009456 FDA-approved molecules, framycetin, paromomycin, and amikacin were found to be significant binders against the SAM binding cryptic pocket of NSP16 with docking score of \u201313.708, \u201314.997 and \u201315.841\u2009kcal\/mol, respectively. Classical molecular dynamics (MD) simulation and molecular mechanics Poisson\u2212Boltzmann surface area (MM\/PBSA)-based binding free energy calculation depicted that all these three framycetin, paromomycin, and amikacin might be promising therapeutic leads towards SARS-CoV-2 infections via host immune escape inhibition pathway.<\/jats:p>","DOI":"10.1177\/11779322231171777","type":"journal-article","created":{"date-parts":[[2023,7,31]],"date-time":"2023-07-31T07:07:25Z","timestamp":1690787245000},"update-policy":"https:\/\/doi.org\/10.1177\/sage-journals-update-policy","source":"Crossref","is-referenced-by-count":3,"title":["Structural-Based Virtual Screening of FDA-Approved Drugs Repository for NSP16 Inhibitors, Essential for SARS-COV-2 Invasion Into Host Cells: Elucidation From MM\/PBSA Calculation"],"prefix":"10.1177","volume":"17","author":[{"given":"Subodh","family":"Kumar","sequence":"first","affiliation":[{"name":"Department of Pharmacology, Postgraduate Institute of Medical 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