Insilico Prediction of Binding Efficiency for the Phytoconstituents from Traditional Medicinal Plants against Diabetes Target: Aldose Reductase

Abstract

Diabetes mellitus is a most common metabolic disease arising from lack of insulin production or insulin resistance. Diabetes mellitus is a leading cause of morbidity and mortality. Aldose reductase, a clinically important key enzyme which is involved in the polyol pathway and considered as the main factor for the pathogenesis of many diabetic complications. The aim of the present study is to combat and manage the diabetic mellitus using traditional medicinal plants. The phytoconstituents which are biologically active in plants Silybummarianum (milk thistle), Abelmoschusesculentus (okra), Allium cepa (onion), Withania somnifera (winter cherry), Commiphora wightii (Guggul), Eriobotrya japonica (loquat) and Cinnamomum verum (cinnamon) were identified from the literature and the 3D structure were retrieved from the publicly accessible chemical compound, PubChem. The compounds were docked with the target aldose reductase using glide module of Schrodinger software. Among the 120 number of compounds, taxifolin from Silybummari anum showed least G score value of -11.11 Kcal/mol. The compound taxifolin had significantly interacted with 5HA7 protein and further information are discussed in detail.