2. Academic Validation
  3. Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

  • Nat Commun. 2021 Apr 1;12(1):2016. doi: 10.1038/s41467-021-22362-2.
Sho Iketani 1 2,  Farhad Forouhar 3,  Hengrui Liu 4,  Seo Jung Hong 5,  Fang-Yu Lin 6,  Manoj S Nair 1,  Arie Zask 7,  Yaoxing Huang 1,  Li Xing 6,  Brent R Stockwell 8 9,  Alejandro Chavez 10,  David D Ho 11 12
Affiliations

Affiliations

  • 1 Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center, New York, NY, USA.
  • 2 Department of Microbiology and Immunology, Columbia University Irving Medical Center, New York, NY, USA.
  • 3 Herbert Irving Comprehensive Cancer Center, Columbia University Irving Medical Center, New York, NY, USA.
  • 4 Department of Chemistry, Columbia University, New York, NY, USA.
  • 5 Department of Pathology and Cell Biology, Columbia University Irving Medical Center, New York, NY, USA.
  • 6 WuXi AppTec, Cambridge, MA, USA.
  • 7 Department of Biological Sciences, Columbia University, New York, NY, USA.
  • 8 Department of Chemistry, Columbia University, New York, NY, USA. bstockwell@columbia.edu.
  • 9 Department of Biological Sciences, Columbia University, New York, NY, USA. bstockwell@columbia.edu.
  • 10 Department of Pathology and Cell Biology, Columbia University Irving Medical Center, New York, NY, USA. ac4304@cumc.columbia.edu.
  • 11 Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center, New York, NY, USA. dh2994@cumc.columbia.edu.
  • 12 Department of Microbiology and Immunology, Columbia University Irving Medical Center, New York, NY, USA. dh2994@cumc.columbia.edu.
PMID: 33795671 DOI: 10.1038/s41467-021-22362-2
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.

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