Computational Simulation of HIV Protease Inhibitors to the Main Protease (Mpro) of SARS-CoV-2: Implications for COVID-19 Drugs Design

Computational Simulation of HIV Protease Inhibitors to the Main Protease (Mpro) of SARS-CoV-2: Implications for COVID-19 Drugs Design

SARS-CoV-2 is highly homologous to SARS-CoV. To date, the main protease (Mpro) of SARS-CoV-2 is regarded as an important drug target for the treatment of Coronavirus Disease 2019 (COVID-19). Some experiments confirmed that several HIV protease inhibitors present the inhibitory effects on the replica...

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Bibliographic Details
Main Authors: Wei Yu, Xiaomin Wu, Yizhen Zhao, Chun Chen, Zhiwei Yang, Xiaochun Zhang, Jiayi Ren, Yueming Wang, Changwen Wu, Chengming Li, Rongfeng Chen, Xiaoli Wang, Weihong Zheng, Huaxin Liao, Xiaohui Yuan
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Molecules
Subjects:
COVID-19
SARS-CoV-2
main protease (Mpro)
HIV protease inhibitor
docking
molecular dynamics (MD) simulation
Online Access:https://www.mdpi.com/1420-3049/26/23/7385

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