A Combined Molecular Docking, Dynamics Simulation, and In Vitro Evaluation of Hydroxythioxanthones as Antidiabetic and Antioxidant Candidates
ABSTRACT. This research conducts a comprehensive investigation of hydroxythioxanthone derivatives through an integrated methodology that includes molecular docking, molecular dynamics (MD) simulations, and in vitro evaluations of antidiabetic and antioxidant activities. Molecular docking and MD simulations were perform...