Bioassay-guided Isolation of Potent Α-Glucosidase Inhibitory Compounds from the Fruit of Piper Mullesua Buch–Ham Ex D Don. and Their in Silico Screening

Two bioactive compounds caffeic and sinapic acid were isolated from the fruit of the Piper mullesua Buch-Ham ex D Don using bioassay guided approach. These compounds were isolated from water fraction using column chromatography followed by semi preparative HPLC. These compounds showed very potent anti-diabetic and antioxidant activities. The molecular docking was carried out to predict the mode of interaction of the isolated compounds with alpha-glucosidase. The in vitro alpha-glucosidase inhibitory activity of caffeic and sinapic acid was determined, and their IC50 values were found 0.67 and 0.82 mu g/ml, respectively. A QSAR equation was generated with an R-2 value of 84.81%, which is suitable enough for predicting the IC50 values of test molecules. The aforementioned finding confirms the isolated compounds show very significant anti-diabetic potential which is supported by the molecular docking and QSAR study. So, it has ample scope for drug development with further in vivo and clinical study.