An Integrated Computational and Experimental Approach to Identifying Inhibitors for SARS-CoV-2 3CL Protease

An Integrated Computational and Experimental Approach to Identifying Inhibitors for SARS-CoV-2 3CL Protease

The newly evolved SARS-CoV-2 has caused the COVID-19 pandemic, and the SARS-CoV-2 main protease 3CLpro is essential for the rapid replication of the virus. Inhibiting this protease may open an alternative avenue toward therapeutic intervention. In this work, a computational docking approach was deve...

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Bibliographic Details
Main Authors:	Tianhua Zhai, Fangyuan Zhang, Shozeb Haider, Daniel Kraut, Zuyi Huang
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2021-05-01
Series:	Frontiers in Molecular Biosciences
Subjects:	SARS-CoV-2 3CL protease inhibitors docking QSAR IC50
Online Access:	https://www.frontiersin.org/articles/10.3389/fmolb.2021.661424/full

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