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The main viral protease (Mpro) of SARS-CoV-2 is a nucleophilic cysteine hydrolase and a current target for anti-viral chemotherapy. We describe a high-throughput solid phase extraction coupled to mass spectrometry Mpro assay. The results reveal some β-lactams, including penicillin esters, are active site reacting Mpro inhibitors, thus highlighting the potential of acylating agents for Mpro inhibition.

Original publication

DOI

10.1039/d0cc06870e

Type

Journal article

Journal

Chem Commun (Camb)

Publication Date

15/02/2021

Volume

57

Pages

1430 - 1433

Keywords

Acylation, Antiviral Agents, COVID-19, Catalytic Domain, Cysteine Endopeptidases, High-Throughput Screening Assays, Humans, Mass Spectrometry, Molecular Docking Simulation, Molecular Dynamics Simulation, Protease Inhibitors, SARS-CoV-2, beta-Lactams