An Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease
J. Clayton, V. M. de Oliveira, M. F. Ibrahim, X. Sun, P. Mahinthichaichan, M. Shen, R. Hilgenfeld, J. Shen
This study investigates how the H172Y mutation in SARS-CoV-2 Mpro reduces nirmatrelvir efficacy using simulations, AI, and experiments, revealing structural and functional changes in the enzyme.
bioRxiv · Jul 31, 2022Biochemistry