Proton-Coupled Conformational Activation of SARS Coronavirus Main Proteases and Opportunity for Designing Small-Molecule Broad-Spectrum Targeted Covalent Inhibitors

The SARS coronavirus 2 (SARS-CoV-2) main protease (Mpro) is an attractive broad-spectrum antiviral drug target. Despite the enormous progress in structure elucidation, the Mpro’s structure–function relationship remains poorly understood. Recently, a peptidomimetic inhibitor has entered clinical tria...

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Veröffentlicht in:	Journal of the American Chemical Society 2020-12, Vol.142 (52), p.21883-21890
Hauptverfasser:	Verma, Neha, Henderson, Jack A, Shen, Jana
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiviral Agents - chemistry Antiviral Agents - pharmacology Binding Sites Coronavirus 3C Proteases - chemistry Coronavirus 3C Proteases - drug effects Cysteine - chemistry Drug Design Humans Hydrogen-Ion Concentration Models, Molecular Molecular Dynamics Simulation Protease Inhibitors - pharmacology Protein Conformation Protons SARS-CoV-2 - drug effects SARS-CoV-2 - enzymology Small Molecule Libraries Structure-Activity Relationship
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