A bioinformatics-based investigation to screen and analyze the bioactivity of Piper longum Linn. compounds as a ground-breaking hostile to antidiabetic activity

As of today, the utilization of herbal medicines has taken up the pace in treating diseases. This is due to the fact that they have lower risk of adverse reactions. Numerous plants are being used traditionally to treat various dreadful diseases including diabetes. Piper longum is one of the major and important medicinal plants in various systems of medicine, including the Ayurvedic system of medicine. Among the major bioactive compounds found in this plant, few compounds, viz., piperine, piperlongumine, piperlonguminine, and retrofractamide A, have been selected for studying the effectiveness on antidiabetic activity. An in silico approach was utilized to observe the major phytochemical properties and interaction studies of the constituents of P. longum, and finally, a pharmacophore investigation was carried out. In this study, we have observed the interaction of the four bioactive compounds taken from P. longum with the receptors via molecular docking technique. The binding of the ligands firmly with the receptors confirmed the fact that piperine, piperlongumine, piperlonguminine, and retrofractamide A act as inhibitors for dipeptidyl peptidase-4, GKRP, 11β-hydroxysteroid dehydrogenase type 1, glutamine-fructose-6-phosphate transaminase 1, and protein tyrosine phosphatase 1B, which encourage the glucose digestion and increment insulin affectability. The information acquired from this investigation might be taken further for in vitro examinations, which may, in the long run, be useful in recognizable proof of novel and successful particles. The outcomes acquired from this examination might provide strong understanding in the utility of phytochemicals against diabetes.