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

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′-<i>o</i>-methyltransferase (2′OMTase) inhibitors through 3009 compounds. The in silico inhibitory potential of the examined compounds against SARS-CoV-...

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Bibliographic Details
Main Authors: Ibrahim H. Eissa, Mohamed S. Alesawy, Abdulrahman M. Saleh, Eslam B. Elkaeed, Bshra A. Alsfouk, Abdul-Aziz M. M. El-Attar, Ahmed M. Metwaly
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Molecules
Subjects:
SARS-CoV-2 nsp16-nsp10 2′-<i>o</i>-methyltransferase
FDA approved drugs
molecular fingerprints
structural similarity
molecular docking
MD simulations
Online Access:https://www.mdpi.com/1420-3049/27/7/2287

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https://www.mdpi.com/1420-3049/27/7/2287

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