Crystallographic fragment screen of Enterovirus D68 3C protease and iterative design of lead-like compounds using structure-guided expansions
Ryan M. Lithgo, Charles W.E. Tomlinson, M. Fairhead, Max Winokan, Warren Athol Thompson, Conor Francis Wild, Jasmin Cara Aschenbrenner, Blake H. Balcomb, Peter George Marples, Anu V. Chandran, Mathew Golding, L. Koekemoer, Eleanor Williams, SiYl Wang, Xiaomin Ni, , F. von Delft
This study identifies fragments binding to EV-D68 3C protease through crystallography and expands them into lead-like compounds, revealing novel binding modes and structural insights for drug design.
bioRxiv · Apr 29, 2024 · PreprintBiochemistry