Identification of Herbal Drugs in Treatment of Diabetes Mellitus

Diabetes mellitus is a chronic metabolic disorder characterized by persistent hyperglycemia resulting from defects in insulin secretion, insulin action, or both. With over 830 million individuals affected globally, it represents a major public health burden, particularly in low- and middle-income countries. Conventional antidiabetic therapies, including insulin and synthetic oral agents such as thiazolidinediones, offer glycemic control but are associated with adverse effects including weight gain, edema, and cardiovascular risks. This necessitates the exploration of safer, plant-derived therapeutic alternatives. Peroxisome proliferator-activated receptor gamma (PPAR-γ) is a validated nuclear receptor target critically involved in glucose homeostasis, lipid metabolism, adipogenesis, and insulin sensitization. Selective modulation of PPAR-γ by natural phytochemicals represents a promising strategy for the development of next-generation antidiabetic agents. The present study aimed to systematically identify and evaluate herbal compounds with antidiabetic potential through in silico approaches targeting the PPAR-γ receptor. virtual compound library comprising structurally diverse phytoconstituents—including capsaicin, carnosic acid, eugenol, gallic acid, hesperidin, quercetin, rosolic acid, and resveratrol—was generated and subjected to virtual screening. Molecular docking was performed using AutoDock Vina against the PPAR-γ ligand-binding domain. Docking scores ranged from –3.9 to –7.1 kcal/mol. Hesperidin demonstrated the highest binding affinity (–7.1 kcal/mol), forming stable hydrogen bonds and electrostatic interactions with key active site residues. Quercetin (–6.3 kcal/mol) and rosolic acid (–6.2 kcal/mol) also exhibited notable affinity. These findings identify hesperidin as a lead phytochemical PPAR-γ modulator with significant antidiabetic potential, warranting further in vitro and in vivo validation.