S. Abid

Strategic development of benzimidazole-derived glycosidase modulators for antihyperglycemic intervention: a comprehensive medicinal study integrating molecular docking, biological evaluation, in vivo validation and pharmacokinetic assessment.

Current in silico drug discovery workflows largely rely on ligand-based screening and structure-based molecular docking to identify enzyme inhibitors, often overlooking dynamic biological contexts that influence drug efficacy and stability. Integrating multiscale computational modeling with experimental validation at e...

Computer-aided development of novel thiazolidinone–thiazole derivatives: multidimensional structure–activity relationships revealed by quantum chemical analysis, molecular docking and biological investigation