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

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.

SUBMITTER: Iketani S 

PROVIDER: S-EPMC8016852 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature