A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics
J. Gossen, S. Albani, A. Hanke, B. P. Joseph, C. Bergh, M. Kuzikov, E. Costanza, C. Manelfi, P. Storici, P. Gribbon, A. R. Beccari, C. Talarico, F. Spyrakis, E. Lindahl, A. Zaliani, , G. Rossetti
The paper identifies a blueprint for high affinity SARS-CoV-2 Mpro inhibitors by analyzing protein dynamics and redefining druggability through virtual screening and pharmacophore modeling.
bioRxiv · Dec 14, 2020Biophysics