PHYTOCHEMICAL PROFILING AND IN SILICO PREDICTION OF ANTI-DIABETIC COMPOUNDS FROM ASPARAGUS RACEMOSUS (SHATAVARI): A COMPARATIVE ANALYSIS WITH CONVENTIONAL DIABETIC DRUGS

Dr. M. Rajasekaran*, P. Yogalakshmi, N. Yuvashree, K. Yukesh and P. Yuvaresh

The study explores the in silico anti-diabetic potential of phytochemicals from Asparagus racemosus (Shatavari) through molecular docking analysis with Aldose reductase, a key enzyme involved in diabetic complications. Using AutoDock 4.2, the binding interactions of 15 phytochemical compounds were analyzed, and their docking scores were compared with standard anti-diabetic drugs, Glibenclamide and Metformin. The results revealed that several compounds exhibited strong binding affinity to Aldose reductase, with Quercimeritrin showing the lowest interaction energy, suggesting a stable complex with the enzyme. Furthermore, hydrogen bonding and van der Waals interactions played significant roles in ligand-enzyme interactions. The compounds demonstrated favorable pharmacokinetic properties, adhering to Lipinski’s Rule of Five, indicating their potential as orally active drugs. The study highlights the promising anti-diabetic effects of Asparagus racemosus phytochemicals, especially in the context of Aldose reductase inhibition, which is crucial for mitigating diabetic complications.