Title : Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.

Pub. Date : 2021 May 24

PMID : 34031399






1 Functional Relationships(s)
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1 A free selenium atom bound with cysteine of catalytic dyad has been revealed in crystallographic structures of Mpro with ebselen and MR6-31-2 suggesting hydrolysis of the enzyme bound organoselenium covalent adduct and formation of a phenolic by-product, confirmed by mass spectrometry. Selenium NEWENTRY Severe acute respiratory syndrome-related coronavirus