Using multiscale molecular modeling to analyze possible NS2b-NS3 protease inhibitors from medicinal plants endemic to the Philippines
A. M. F. Cordero, A. A. Gonzales
This study identifies six potential dengue inhibitors from Philippine medicinal plants using molecular docking and dynamics simulations, showing structural stability and drug-like properties.
bioRxiv · May 12, 2023 · PreprintPharmacology & Toxicology