Structure-based discovery of CFTR potentiators and inhibitors
F. Liu, A. L. Kaplan, J. Levring, J. Einsiedel, S. Tiedt, K. Distler, N. Omattage, I. S. Kondratov, Y. S. Moroz, H. L. Pietz, J. J. Irwin, P. Gmeiner, B. K. Shoichet, J. Chen
The paper identifies novel CFTR modulators using molecular docking, electrophysiology, cryo-EM, and medicinal chemistry, discovering potentiators and inhibitors with mid-nanomolar activity.
bioRxiv · Sep 9, 2023Biophysics