In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin

Abstract

Diabetes mellitus affects millions of people worldwide and if left untreated leads to many serious complications such as hypertension, stroke, coma, or even death. Although drugs are commercially available, often these are unaffordable and have undesirable side effects. Therefore, discovering new and more effective treatments is of importance. Several edible plants have been found to have antidiabetic properties and the compounds contributing to activity may be an alternative source of compounds for the treatment of type 2 diabetes (T2D). The study aimed to analyse the in silico properties, the digestive enzyme inhibition and cellular glucose-uptake inducing ability of the selected compounds present in herbs, spices, and medicinal plants.