Copper(II) Inhibition of the SARS-CoV-2 Main Protease.

ABSTRACT: In an analysis of the structural stability of the coronavirus main protease (Mpro), we identified regions of the protein that could be disabled by cobalt(III)-cation binding to histidines and cysteines [1]. Here we have extended our work to include copper(II) chelates, which we have docked to HIS 41 and CYS 145 in the Mpro active-site region. We have found stable docked structures where Cu(II) could readily bond to the CYS 145 thiolate, which would be lethal to the enzyme.

SUBMITTER: Garza-Lopez RA 

PROVIDER: S-EPMC7668746 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature