Field-Template, QSAR, Ensemble Molecular Docking, and 3D-RISM Solvation Studies Expose Potential of FDA-Approved Marine Drugs as SARS-CoVID-2 Main Protease Inhibitors

Field-Template, QSAR, Ensemble Molecular Docking, and 3D-RISM Solvation Studies Expose Potential of FDA-Approved Marine Drugs as SARS-CoVID-2 Main Protease Inhibitors

Currently, SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) has infected people among all countries and is a pandemic as declared by the World Health Organization (WHO). SARS-CoVID-2 main protease is one of the therapeutic drug targets that has been shown to reduce virus replication, and...

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Bibliographic Details
Main Authors: Poonam Kalhotra, Veera C.S.R. Chittepu, Guillermo Osorio-Revilla, Tzayhri Gallardo-Velazquez
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
SARS-CoV-2
CoVID-2 main protease
FDA-approved marine drugs
ensemble molecular docking
field-template models
antivirals
Online Access:https://www.mdpi.com/1420-3049/26/4/936

Internet

https://www.mdpi.com/1420-3049/26/4/936

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