Nsp15-Targeted Compound Library (CADD)

The 3-D structure of a potential drug target in a newly mapped protein of COVID-19, or coronavirus, has been solved by a team of researchers from the University of California, Riverside, the University of Chicago, the U.S. Department of Energy’s Argonne National Laboratory, and Northwestern University. (“Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2”, BioRxiv)

In this study, the high-resolution crystal structure of endoribonuclease Nsp15/NendoU from SARS-CoV-2 was reported. The protein Nsp15 from SARS-CoV-2, is 89 percent identical to the protein from the earlier outbreak of SARS-CoV. Studies published in 2010 on SARS-CoV revealed inhibition of Nsp15 can slow viral replication. This suggests drugs designed to target Nsp15 could be developed as effective drugs against COVID-19.

Based on the protein structure of nsp15 protein, we selected 470 top-ranked docked molecules into Nsp15-Targeted Compound Library (CADD) by molecular docking virtual screening against 15,376 compound structures. To speed up the research and development of anti-SARS-CoV-2 drugs, we provide the virtual screening result for free！