Isolation, Structural Elucidation, In Vitro Anti-α-Glucosidase, Anti-β-Secretase, and In Silico Studies of Bioactive Compound Isolated from Syzygium cumini L.

Abstract

Diabetes is one of the main health issues worldwide because of its lifetime duration. To overcome this health problem, the current study was conducted. This investigation aims to explore the α-glucosidase and β-secretase potential of extract/fractions and pure isolated compounds of Syzygium cumini bark. The chloroform extract of Syzygium cumini bark was subjected to chromatographic analysis to yield compound 1. The structure of isolated phytochemical (1) was conducted using advanced spectroscopic analysis. Among test extracts, the chloroform fraction exhibited a significant effect against α-glucosidase with a % activity of 86.20% and an IC50 of 77.09 µM, while the isolated compound exhibited a promising effect with a % activity of 91.54 and an IC50 value of 17.54 μM. The extract/fractions and isolated compound 1 also showed promising effects against the β-secretase enzyme, having % effects of 83.21 and 91.54% with IC50 values of 318.76 and 17.54 μM, respectively. The extract/fractions and compound 1 were found to possess promising inhibitory activity against α-glucosidase and β-secretase. This research project opens a new avenue for research into detailed chemical and biological studies on Syzygium cumini to isolate bioactive enzyme inhibitors. Furthermore, the isolated compound 1 friedelin was docked into the active site of β-secretase and α-glucosidase. The molecular docking was assessed using molecular docking via the MOE-Dock tool. The docking results showed good docking scores of −6.84 and −6.46 when docked against β-secretase and α-glucosidase, respectively, and strong interactions.