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

• DOI: 10.1038/s41467-021-22362-2
• Publication Date: 2021-04-01T10:04:19Z
• Authors: Sho Iketani; Farhad Forouhar; Hengrui Liu; Seo Jung Hong; Fang-Yu Lin; Manoj S. Nair; Arie Zask; Yaoxing Huang; Li Xing; Brent R. Stockwell; Alejandro Chavez; David D. Ho
• Keywords: 2019-20 coronavirus outbreak; Coronavirus Infections; Sars virus; Lead (geology); Betacoronavirus

We report the identification of three structurally diverse compounds - compound 4, GC376, and MAC-5576 as inhibitors SARS-CoV-2 3CL protease. Structures each these in complex with protease revealed strategies for further development, well general principles designing inhibitors. These may therefore serve leads basis building effective