Open access
Sep 2026
All-atoms MD simulations study of newly designed ciprofloxacin derivatives as potential bacterial DHPS and DNA gyrase inhibitors
A series of ciprofloxacin-sulfonamide hybrid molecules was designed, in which each pharmacophore retains its established mechanism of action and CIS4, CIS5, and CIS12 emerged as the most promising dual-target inhibitor of bacterial DHPS and DNA gyrase.
Chita Ranjan Sahoo, Madhusmita Rout, S. Paidesetty et al.
· Frontiers in Bioinformatics · 0 citations