Virtual Alanine Scan of the Main Protease Active Site in Severe Acute Respiratory Syndrome Coronavirus 2

Virtual Alanine Scan of the Main Protease Active Site in Severe Acute Respiratory Syndrome Coronavirus 2

Recently, inhibitors of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) have been proposed as potential therapeutic agents for COVID-19. Studying effects of amino acid mutations in the conformation of drug targets is necessary for anticipating drug resistance. I...

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Bibliographic Details
Main Authors: Tomoki Nakayoshi, Koichi Kato, Eiji Kurimoto, Akifumi Oda
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:International Journal of Molecular Sciences
Subjects:
COVID-19
severe acute respiratory syndrome coronavirus 2
main protease
drug resistance
virtual alanine scan
molecular dynamics simulation
Online Access:https://www.mdpi.com/1422-0067/22/18/9837

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