A molecular docking study on inhibition of HMG CoA reductase with respect to phytochemicals of Terminalia cuneata Roth.

Abstract

Inhibition of cholesterol synthesis by targeting the enzyme hydroxyl methyl glutarate coenzyme reductase (HMGCR), a rate-limiting enzyme in the mevalonate pathway, has been identified as a promising approach. The most commonly employed drugs for the treatment of hyperlipidemia, statins, have been identified with some risk factors for muscle-related side effects. In this present study, an attempt is made to inhibit the HMG-CoA reductase enzyme using phytochemicals of Terminalia cuneata by in silico approach. The software AutoDock 4.2 was used for the docking study. We used atorvastatin and lovastatin as positive control. We also found the drug likeliness and bioactivity score of all inhibitors using the mol-inspiration prediction tool. We found that most of the compounds showed the best binding energy results against the targeted enzyme.