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- Title
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
- Authors
Iketani, Sho; Forouhar, Farhad; Liu, Hengrui; Hong, Seo Jung; Lin, Fang-Yu; Nair, Manoj S.; Zask, Arie; Huang, Yaoxing; Xing, Li; Stockwell, Brent R.; Chavez, Alejandro; Ho, David D.
- 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. 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.
- Subjects
SARS-CoV-2; LEAD compounds; PROTEASE inhibitors; COMPLEX compounds; CRYSTAL structure
- Publication
Nature Communications, 2021, Vol 12, Issue 1, p1
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-021-22362-2