PHYTOCHEMICAL SCREENING AND MOLECULAR DOCKING ANALYSIS OF TURNERA SUBULATA PHYTOCONSTITUENTS AGAINST MULTIPLE THERAPEUTIC TARGETS IN POLYCYSTIC OVARY SYNDROME

Background: Polycystic Ovary Syndrome (PCOS) is a complex endocrine disorder characterized by hyperandrogenism, ovulatory dysfunction, and metabolic disturbances. Turnera subulata, traditionally used for reproductive ailments, contains various bioactive phytoconstituents that may offer therapeutic benefits. Objective: This study aimed to evaluate the phytochemical profile of Turnera subulata and investigate the binding potential of its primary phytoconstituents against key molecular targets involved in PCOS pathophysiology using in silico molecular docking. Methodology: Aqueous extracts of T. subulata leaves and stems were subjected to preliminary phytochemical screening. Seven therapeutic targets—AKR1C3, AKT1, StAR, Insulin Receptor (IRK), CYP19A1, PPARγ, and 17β-HSD1—were selected for molecular docking simulations using AutoDock Vina. Six major phytoconstituents (beta-Background: Polycystic Ovary Syndrome (PCOS) is a complex endocrine disorder characterized by hyperandrogenism, ovulatory dysfunction, and metabolic disturbances. Turnera subulata, traditionally used for reproductive ailments, contains various bioactive phytoconstituents that may offer therapeutic benefits. Objective: This study aimed to evaluate the phytochemical profile of Turnera subulata and investigate the binding potential of its primary phytoconstituents against key molecular targets involved in PCOS pathophysiology using in silico molecular docking. Methodology: Aqueous extracts of T. subulata leaves and stems were subjected to preliminary phytochemical screening. Seven therapeutic targets—AKR1C3, AKT1, StAR, Insulin Receptor (IRK), CYP19A1, PPARγ, and 17β-HSD1—were selected for molecular docking simulations using AutoDock Vina. Six major phytoconstituents (beta-