Review
Open access
Aug 2026
Integrated molecular docking, toxicity prediction, and molecular dynamics simulations studies to identify potential antimalarial candidates targeting enoyl-acyl carrier protein reductase enzyme
A cost-effective computational workflow for prioritizing ENR inhibitors is demonstrated, providing a foundation for the development of novel antimalarial agents and highlighting Cd3 and Cd5 as the most promising candidates for further development.
Abozur Mohamed Mohyeldin Khalil, Carlos Eliel Maya-Ramírez, Ammar A. Razzak Mahmood et al.
· In Silico Pharmacology · 0 citations