Dovala, Dustin, Fischer, Christian and Trauner, Dirk (2021) De novo Design of SARS-CoV-2 Main Protease Inhibitors. De novo Design of SARS-CoV-2 Main Protease Inhibitors.

Abstract

The COVID-19 pandemic prompted many scientists to investigate remedies against SARS-CoV-2 and related viruses that are likely to appear in the future. As the main protease of the virus, MPro, is highly conserved among coronaviruses, it has emerged as a prime target for developing inhibitors. Using a combination of virtual screening and molecular modeling, we identified small molecules that were easily accessible and could be quickly diversified. Biochemical assays confirmed a class of pyridones as low micromolar non-covalent inhibitors of the viral main protease

Item Type:	Article
Keywords:	Viral Main Protease, Small-Molecule Inhibitor, SARS-CoV-2, Coronavirus, Molecular Modeling
Date Deposited:	30 Nov 2021 00:45
Last Modified:	30 Nov 2021 00:45
URI:	https://oak.novartis.com/id/eprint/45350