Molecular docking studies of Triphala with catalytic portion of HMG-CoA reductase enzyme

Introduction: Triphala, consisting of three fruits, Phyllanthus emblica L. (Phyllanthaceae), Terminalia bellirica (Gaertn.) Roxb. (Combretaceae), and T. chebula Retz, is a well-recognized Ayurvedic herbal formulation, used for various therapeutic purposes, including the treatment dyslipidemia. Inhibitory activity against 3‑hydroxy‑3‑methylglutaryl‑coenzyme A (HMG‑CoA) reductase, rate-limiting enzyme in endogenous cholesterol synthesis pathway, an essential target management hypercholesterolemia. This silico study aimed to investigate HMG-CoA reductase inhibitory phytochemical compounds derived from Triphala formulation by employing molecular docking analysis. Methods: Ten constituents were selectively using template (PDB: 1HWK). Docking analysis was performed AutoDock 4.2. The candidates ranked binding energy parameters. Results: From studies, with inhibition could be classified into 4 groups, phytosterols, polyphenols, tannins, flavonoids. Beta-sitosterol exhibited highest affinity -7.75 kcal/mol. Conclusion: These 10 potentially exert their cholesterol-lowering effects via reductase. Nonetheless, further vitro vivo experiments should conducted subsequently confirm this finding.