IN SILICO INHIBITORY EFFECTS OF LIGANDS FROM Monodora tenuifolia SEED OIL ON HMG-CoA REDUCTASE IN DIABETES

Abstract

Diabetes mellitus is a fast-growing metabolic disorder due to lack of insulin and/or reduced insulin action resulting in hyperglycaemia. Poor nutrition alongside sedentary lifestyle has been implicated in diabetes complications with diabetics restricted to certain types of food. This necessitated the in silico evaluation of a medicinal plant, Monodora tenuifolia seed oil for its therapeutic values in inhibiting HMG-CoA reductase. A total volume of about 100ml of oil was obtained from 900g of the Monodora tenuifolia seed using hexane and characterized with the aid of GC-MS. The ligands obtained were docked against standard inhibitor, lovastatin, and the protein, HMG-CoA Reductase. The seed oil had physical characteristics of dark brown color, a mint-like taste and smell. The Non-volatile compounds found in the oil were; methyl palmitate, methyl palmitoleate, trans–methyl linoleaidate, methyl heptadecanoate, methyl oleate and methyl stearate. The standard inhibitor (lovastatin) as well as the test ligands interacted at a similar binding pocket exhibiting different binding affinities against HMG-CoA Reductase with methyl stearate having the highest binding affinity of -6.0 kcal/mol closer to that of the standard inhibitor (-6.0 kcal/mol). Methyl stearate can be exploited as an inhibitor of HMG-CoA Reductase.