SARS-CoV-2 3CL-protease inhibitors derived from ML300:  investigation of P1 and replacements of the 1,2,3-benzotriazole

• Published in: Research square
• Main Authors: Hooper, Alice, Macdonald, Jonathan D, Reilly, Brenna, Maw, Joshua, Wirrick, Aidan P, Han, Sang Hoon, Lindsey, A Abigail, Rico, Emma G, Romigh, Todd, Goins, Christopher M, Wang, Nancy S, Stauffer, Shaun
• Format: Journal Article
• Language: English
• Published: United States 11.05.2023

Starting from compound (CCF0058981), a structure-based optimization of the P1 subsite was performed against the severe acute respiratory syndrome coronavirus (SARS-CoV-2) main protease (3CL ). Inhibitor and the compounds disclosed bind to 3CL using a non-covalent mode of action that utilize a His163...