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.
MeSH terms
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Acylation
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Antiviral Agents / chemistry
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Antiviral Agents / pharmacology*
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COVID-19 / virology
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Catalytic Domain
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Cysteine Endopeptidases / drug effects*
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High-Throughput Screening Assays
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Humans
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Mass Spectrometry / methods*
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Molecular Docking Simulation
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Molecular Dynamics Simulation
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Protease Inhibitors / chemistry
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Protease Inhibitors / pharmacology*
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SARS-CoV-2 / drug effects*
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SARS-CoV-2 / enzymology
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beta-Lactams / chemistry
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beta-Lactams / pharmacology*
Substances
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Antiviral Agents
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Protease Inhibitors
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beta-Lactams
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Cysteine Endopeptidases