Molecular docking studies of isolated compounds from Cassia fistula on HMG-COA reductase
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HMG-CoA reductase which plays a central role in the production of cholesterol. High cholesterol levels have been associated with cardiovascular disease (CVD). Statins have been found to reduce cardiovascular disease and mortality in those who are at high risk. Currently, Statin drugs are prescribed to decrease the serum low density lipid levels, but they have been found to cause many adverse side effects. The above situation necessitated the need to develop suitable phytotherapeutic agents with less frequent side effects. Cassia fistula (Family: Fabaceae), is a promising cardiotonic medicinal plant, having wider applications in indigenous systems of medicine. Bark is laxative, anthelmintic, emetic, febrifuge, diuretic and depurative. It is useful in boils, leprosy, ringworm affection, colic, dyspepsia, constipation, diabetes, strangury and cardiac problems. The present study involved molecular docking of HMG-CoA reductase and 3 phytochemicals reported from Cassia fistula using automated docking software Glide 5.6, (Schrodinger Inc). The 3D structure of HMG-Co Areductase (PDB ID: IHWK) and the ligand molecules were retrieved from RSCB protein databank. We believe that the compound 2 from the plant Cassia fistula has the potential to regulate the cholesterol level in the blood by limiting the activity of the enzyme, HMG-CoA reductase.
Cassia fistula, Fabaceae, HMG-CoA reductase, Glide 5.6, Schrodinger Inc.