1. Mass spectrometry reveals potential of β-lactams as SARS-CoV-2 M pro inhibitors.
- Author
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Malla TR, Tumber A, John T, Brewitz L, Strain-Damerell C, Owen CD, Lukacik P, Chan HTH, Maheswaran P, Salah E, Duarte F, Yang H, Rao Z, Walsh MA, and Schofield CJ
- Subjects
- Acylation, Antiviral Agents chemistry, COVID-19 virology, Catalytic Domain, High-Throughput Screening Assays, Humans, Molecular Docking Simulation, Molecular Dynamics Simulation, Protease Inhibitors chemistry, SARS-CoV-2 enzymology, beta-Lactams chemistry, Antiviral Agents pharmacology, Cysteine Endopeptidases drug effects, Mass Spectrometry methods, Protease Inhibitors pharmacology, SARS-CoV-2 drug effects, beta-Lactams pharmacology
- Abstract
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.
- Published
- 2021
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