Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2′-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs

Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2′-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs

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As a continuation of our earlier work against SARS-CoV-2, seven FDA-approved drugs were designated as the best SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase (2′OMTase) inhibitors through 3009 compounds. The in silico inhibitory potential of the examined compounds against SARS-CoV-2 nsp16-nsp10 2′-o-...

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Bibliographic Details
Main Authors: Alesawy, M.S (Author), Alsfouk, B.A (Author), Eissa, I.H (Author), El-Attar, A.-A.M.M (Author), Elkaeed, E.B (Author), Metwaly, A.M (Author), Saleh, A.M (Author)
Format: Article
Language:English
Published: MDPI 2022
Subjects:
FDA approved drugs
MD simulations
MMPBSA
molecular docking
molecular fingerprints
SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase
structural similarity
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