Identification of and Mechanistic Insights into SARS-CoV-2 Main Protease Non-Covalent Inhibitors: An In-Silico Study

Identification of and Mechanistic Insights into SARS-CoV-2 Main Protease Non-Covalent Inhibitors: An In-Silico Study

The indispensable role of the SARS-CoV-2 main protease (Mpro) in the viral replication cycle and its dissimilarity to human proteases make Mpro a promising drug target. In order to identify the non-covalent Mpro inhibitors, we performed a comprehensive study using a combined computational strategy....

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Bibliographic Details
Main Authors:	Jian-Xin Shen, Wen-Wen Du, Yuan-Ling Xia, Zhi-Bi Zhang, Ze-Fen Yu, Yun-Xin Fu, Shu-Qun Liu
Format:	Article
Language:	English
Published:	MDPI AG 2023-02-01
Series:	International Journal of Molecular Sciences
Subjects:	SARS-CoV-2 Mpro non-covalent inhibitors binding affinity protein-ligand interactions virtual screening
Online Access:	https://www.mdpi.com/1422-0067/24/4/4237

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