GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of Syzygium cumini (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies

Molecules. 2021 Nov 19;26(22):6984. doi: 10.3390/molecules26226984.

Abstract

Syzygium cumini (Pomposia) is a well-known aromatic plant belonging to the family Myrtaceae, and has been reported for its various traditional and pharmacological potentials, such as its antioxidant, antimicrobial, anti-inflammatory, and antidiarrheal properties. The chemical composition of the leaf essential oil via gas chromatography-mass spectrometry (GC/MS) analysis revealed the identification of fifty-three compounds representing about 91.22% of the total oil. The identified oil was predominated by α-pinene (21.09%), followed by β-(E)-ocimene (11.80%), D-limonene (8.08%), β-pinene (7.33%), and α-terpineol (5.38%). The tested oil revealed a moderate cytotoxic effect against human liver cancer cells (HepG2) with an IC50 value of 38.15 ± 2.09 µg/mL. In addition, it effectively inhibited acetylcholinesterase with an IC50 value of 32.9 ± 2.1 µg/mL. Furthermore, it showed inhibitory properties against α-amylase and α-glucosidase with IC50 values of 57.80 ± 3.30 and 274.03 ± 12.37 µg/mL, respectively. The molecular docking studies revealed that (E)-β-caryophyllene, one of the major compounds, achieved the best docking scores of -6.75, -5.61, and -7.75 for acetylcholinesterase, α-amylase, and α-glucosidase, respectively. Thus, it is concluded that S. cumini oil should be considered as a food supplement for the elderly to enhance memory performance and for diabetic patients to control blood glucose.

Keywords: Pomposia; Syzygium cumini; acetylcholinesterase; cytotoxicity; essential oil; molecular docking; α-amylase; α-glucosidase.

MeSH terms

  • Egypt
  • Glycoside Hydrolase Inhibitors / chemistry*
  • Glycoside Hydrolase Inhibitors / pharmacology
  • Hep G2 Cells
  • Humans
  • Molecular Docking Simulation*
  • Oils, Volatile / chemistry*
  • Oils, Volatile / pharmacology
  • Plant Leaves
  • Syzygium / chemistry*
  • alpha-Amylases / antagonists & inhibitors
  • alpha-Amylases / chemistry
  • alpha-Glucosidases / chemistry*

Substances

  • Glycoside Hydrolase Inhibitors
  • Oils, Volatile
  • alpha-Amylases
  • alpha-Glucosidases