In Silico Evaluation of 5‐Arylidine Glitazone Esters as Potential Antidiabetic Agents: ADMET, Molecular Docking, Dynamics, MMGBSA and DFT Studies

Abstract Diabetes Mellitus remains a severe cause of death globally. In our present study, we report an in silico study of our previously synthesized 5‐arylidine glitazone esters 3ai–ev to find an alternative treatment for T2DM. To this end, computational methods such as ADMET, Molecular docking, dynamics, MMGBSA, and DFT were employed to investigate drug‐like characteristics, safety, binding affinity, stability, free binding energy, and the electronic properties of compounds 3ai‐ev. The results showed that all compounds exhibited favorable physicochemical and pharmacokinetic