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Copper(II) Inhibition of the SARS-CoV-2 Main Protease
Roberto A Garza-López1, John J Kozak2, Harry B Gray3
1Department of Chemistry and Seaver Chemistry Laboratory, Pomona College, Claremont, CA 91711.
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.
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