Binding kinetics of ten small-molecule drug candidates on SARS-CoV-2 3CLpro revealed by biomolecular simulations

3CL protease (3CLpro) is the main protease (Mpro) found in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which cuts the coronavirus polyprotein at eleven conserved sites and is essential for the virus replication. Therefore, 3CLpro has been widely used as a promising drug target. Man...

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Bibliographic Details
Main Authors: Yifei Zhou, Xubo Lin
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Medicine in Novel Technology and Devices
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2590093523000528