A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2

Islam, Rajib; Rimon Parves, Md.; Sundar Paul, Archi; Uddin, Nizam; Sajjadur Rahman, Md; Al Mamun, Abdulla; Nayeem Hossain, Md; Ali, Muhammad; A. Halim, Mohammad

doi:10.1080/07391102.2020.1761883

Public

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2

Published in Journal of Biomolecular Structure and Dynamics • Apr 28, 2020

Authors:

Rajib Islam

Md. Rimon Parves

Archi Sundar Paul

Abstract

The main protease of SARS-CoV-2 is one of the important targets to design and develop antiviral drugs. In this study, we have selected 40 antiviral phytochemicals to find out the best candidates which can act as potent inhibitors against the main protease. Molecular docking is performed using AutoDo...

Subject

AutoDock

Quantitative structure–activity relationship

Docking (animal)

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