Abstract
We report the identification of three structurally diverse compounds - compound 4, GC376, and MAC-5576 - as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors.
Publication types
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Research Support, N.I.H., Extramural
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Research Support, Non-U.S. Gov't
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Research Support, U.S. Gov't, Non-P.H.S.
MeSH terms
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COVID-19 Drug Treatment*
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Coronavirus 3C Proteases / antagonists & inhibitors*
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Crystallography, X-Ray
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Drug Evaluation, Preclinical
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Humans
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Pyrrolidines / pharmacology
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SARS-CoV-2 / drug effects*
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Sulfonic Acids
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Virus Replication / drug effects*
Substances
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Pyrrolidines
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Sulfonic Acids
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3C-like protease, SARS coronavirus
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Coronavirus 3C Proteases
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GC376