Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

L. El Khoury, Z. Jing, A. Cuzzolin +32

We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M${}^{pro}$) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$Î…