Molecular docking studies of phenolic compounds from citrus sinensis against multiple targets of type 2 diabetes

Abstract

Treatment of diabetes deprived of any adverse action is still a menace for the health organizations. This results in growing interest for plantderived medicines with antidiabetic potential without adverse actions. Some flavonoids and other phenolic compounds from C. sinensis were reported in literature to have antidiabetic potential. The main objective of the current investigation was the in silico screening of some phenolic compounds from C. sinensis against multiple targets associated with type 2 diabetes to explore the mechanism of antidiabetic action and prediction of binding mode and interactions. Molecular docking investigations were carried out for the selected molecules in the 'active site' of the multiple targets associated with type 2 diabetes (?-glucosidase, dipeptidyl peptidase 4, glycogen synthase kinase 3, glucokinase and glucagon receptor). Amongst the compounds tested in silico, hesperetin showed appreciable docking interactions with multiple targets of type 2 diabetes including ?-glucosidase, dipeptidyl peptidase 4, glucagon receptor and glycogen synthase kinase 3. Isorhamnetin, kaempferol and sakuranetin displayed appreciable interactions three different targets of type 2 diabetes. This information can be utilized for the development of potent and safe multi-functional candidate drugs for treatment of type 2 diabetes. � 2020 Plant Archives. All rights reserved.