An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor.
D. Zaidman, P. Gehrtz, M. Filep, D. Fearon, J. Prilusky, S. Duberstein, G. Cohen, D. Owen, E. Resnick, C. Strain-Damerell, P. Lukacik, Covid-Moonshot Consortium, H. Barr, M. A. Walsh, F. von Delft, N. London
The paper introduces a computational pipeline to design irreversible inhibitors, identifying a potent SARS-CoV-2 Mpro inhibitor with low micromolar IC50.
Cell Chemical Biology · Dec 1, 2021Peer-reviewedBiochemistry