Structure-Activity Studies Reveal Scope for Optimisation of Ebselen-Type Inhibition of SARS-CoV-2 Main Protease.

Thun-Hohenstein STD., Suits TF., Malla TR., Tumber A., Brewitz L., Choudhry H., Salah E., Schofield CJ.

The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID-19) and other diseases. We report structure-activity studies on sulfur analogues of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro ), employing turnover and protein-observed mass spectrometry-based assays. The results reveal scope for optimisation of ebselen/ebselen derivative- mediated inhibition of Mpro , particularly with respect to improved selectivity.

DOI

10.1002/cmdc.202100582

Type

Journal article

Publication Date

2022-02-16T00:00:00+00:00

Volume

17

Keywords

COVID-19, Mpro inhibition, SARS-CoV-2, ebselen, ebsulfur, nucleophilic cysteine protease., COVID-19, Coronavirus 3C Proteases, Humans, Isoindoles, Organoselenium Compounds, Protease Inhibitors, SARS-CoV-2, Structure-Activity Relationship

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