An in silico Evaluation of Anti-diabetic Potential of Vasicine, A Quinazoline Alkaloid of Justicia adhatoda Linnaeus

Abstract

Background: Diabetes mellitus, a chronic metabolic disease with multiple secondary effects, is on the rise. Treatment of type II diabetes mellitus with phytochemicals is gaining importance to avoid secondary complications used in the treatment. Justicia adhatoda is said to be an evergreen perennial shrub with a multitude of uses, especially as a stimulant of the respiratory tract. Methods: Vasicine, a major alkaloid extracted from the leaves of the adhatoda was used in the current study to identify its antidiabetic activity through the Computer Aided Drug Design technique. The molecular docking technique was performed between vasicine and five different receptors Protein Tyrosine Phosphate 1B (PTP 1B), Glucose Transporter (GLUT2), Glucagon Like Peptide 1 (GLP-1) and Peroxisome Proliferator Activated Receptors (PPAR Ɣ) which are usually targeted by anti-diabetic drugs. The Libdock score for the interaction between the receptors and vasicine is indicative of the antidiabetic activity of the vasicine in various pathways. Result: PTP 1B presented the highest LibDock score of 101.46 indicating the antidiabetic property of vasicine.