Journal
NATURE COMMUNICATIONS
Volume 12, Issue 1, Pages -Publisher
NATURE PORTFOLIO
DOI: 10.1038/s41467-021-22362-2
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Funding
- Jack Ma Foundation
- Columbia Technology Ventures
- Columbia Translational Therapeutics (TRx) program
- Burroughs Wellcome Fund
- NIH [T32AI106711]
- DOE Office of Science [DE-AC02-06CH11357]
- DOE Office of Science through the National Virtual Biotechnology Laboratory, a consortium of DOE national laboratories focused on the response to COVID-19
- Coronavirus CARES Act
- NSF [2029943]
- Div Of Biological Infrastructure
- Direct For Biological Sciences [2029943] Funding Source: National Science Foundation
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The study identifies three structurally diverse compounds as inhibitors of the SARS-CoV-2 3CL protease and provides insights for designing improved inhibitors.
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. The essential SARS-CoV-2 3CL protease is of interest as a drug target. Here, the authors identify three 3CL inhibitors and characterize them both in vitro and with a cell-based assay, and they also present the inhibitor-bound 3CL crystal structures, which may allow for the design of improved compounds.
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