Mass spectrometry reveals potential of β-lactams as SARS-CoV-2 M pro inhibitors

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...

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Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2021-02, Vol.57 (12), p.1430-1433
Hauptverfasser:	Malla, Tika R, Tumber, Anthony, John, Tobias, Brewitz, Lennart, Strain-Damerell, Claire, Owen, C David, Lukacik, Petra, Chan, H T Henry, Maheswaran, Pratheesh, Salah, Eidarus, Duarte, Fernanda, Yang, Haitao, Rao, Zihe, Walsh, Martin A, Schofield, Christopher J
Format:	Artikel
Sprache:	eng
Schlagworte:	Acylation Antiviral Agents - chemistry Antiviral Agents - pharmacology beta-Lactams - chemistry beta-Lactams - pharmacology Catalytic Domain COVID-19 - virology Cysteine Endopeptidases - drug effects High-Throughput Screening Assays Humans Mass Spectrometry - methods Molecular Docking Simulation Molecular Dynamics Simulation Protease Inhibitors - chemistry Protease Inhibitors - pharmacology SARS-CoV-2 - drug effects SARS-CoV-2 - enzymology
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Zusammenfassung:	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.
ISSN:	1359-7345 1364-548X
DOI:	10.1039/d0cc06870e