GC/MS Profiling, In Vitro and In Silico Pharmacological Screening and Principal Component Analysis of Essential Oils from Three Exotic and Two Endemic Plants from Mauritius

Chem Biodivers. 2021 Mar;18(3):e2000921. doi: 10.1002/cbdv.202000921. Epub 2021 Feb 17.

Abstract

The chemical and pharmacological profiles of essential oils (EOs) hydrodistilled in yields of 0.03-0.77 % (w/w) from three exotic (Cinnamomum camphora, Petroselinum crispum, and Syzygium samarangense) and two endemic (Pittosporum senacia subsp. senacia and Syzygium coriaceum) medicinal plants were studied. GC-MS/GC-FID analysis of the EOs identified the most dominant components to be myristicin (40.3 %), myrcene (62.2 %), 1,8-cineole (54.0 %), β-pinene (21.3 %) and (E)-β-ocimene (24.4 %) in P. crispum, P. senacia and C. camphora, S. samarangense and S. coriaceum EOs, respectively. All EOs were found to possess anti-amylase (0.70-1.50 mM ACAE/g EO) and anti-tyrosinase (109.35-158.23 mg KAE/g) properties, whereas no glucosidase inhibition was displayed. Only Syzygium EOs acted as dual inhibitors of both acetyl- and butyryl-cholinesterases, while P. senacia and C. camphora EOs inhibited acetylcholinesterase selectively and P. crispum EO was inactive (AChE: 4.64-4.96 mg GALAE/g; BChE: 5.96 and 7.10 mg GALAE/g). Molecular docking revealed 1,8-cineole to present the best binding affinities with butyrylcholinesterase, amylase and tyrosinase, while both myristicin and β-pinene with acetylcholinesterase and finally β-pinene with glucosidase. In vitro antioxidant potency was also demonstrated in different assays (DPPH: 13.52-53.91 mg TE/g, ABTS: 5.49-75.62 mg TE/g; CUPRAC: 45.38-243.21 mg TE/g, FRAP: 42.49-110.64 mg TE/g; and phosphomolybdenum assay: 82.61-160.93 mM TE/g). Principal component analysis revealed the EOs to differ greatly in their bioactivities due to their chemodiversity. This study has unveiled some interesting preliminary pharmacological profiles of the EOs that could be explored for their potential applications as phytotherapeutics.

Keywords: GC/MS; antioxidant activity; enzyme inhibition; essential oils; molecular docking; principal component analysis.

MeSH terms

  • Acetylcholinesterase / metabolism
  • Amylases / antagonists & inhibitors
  • Amylases / metabolism
  • Antioxidants / chemistry
  • Antioxidants / isolation & purification
  • Antioxidants / pharmacology*
  • Benzothiazoles / antagonists & inhibitors
  • Biphenyl Compounds / antagonists & inhibitors
  • Butyrylcholinesterase / metabolism
  • Cinnamomum camphora / chemistry
  • Dose-Response Relationship, Drug
  • Drug Evaluation, Preclinical
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / isolation & purification
  • Enzyme Inhibitors / pharmacology*
  • Gas Chromatography-Mass Spectrometry
  • Mauritius
  • Molecular Docking Simulation
  • Molecular Structure
  • Monophenol Monooxygenase / antagonists & inhibitors
  • Monophenol Monooxygenase / metabolism
  • Oils, Volatile / chemistry
  • Oils, Volatile / isolation & purification
  • Oils, Volatile / pharmacology*
  • Petroselinum / chemistry
  • Picrates / antagonists & inhibitors
  • Principal Component Analysis*
  • Rosales / chemistry
  • Structure-Activity Relationship
  • Sulfonic Acids / antagonists & inhibitors
  • Syzygium / chemistry

Substances

  • Antioxidants
  • Benzothiazoles
  • Biphenyl Compounds
  • Enzyme Inhibitors
  • Oils, Volatile
  • Picrates
  • Sulfonic Acids
  • 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
  • 1,1-diphenyl-2-picrylhydrazyl
  • Monophenol Monooxygenase
  • Acetylcholinesterase
  • Butyrylcholinesterase
  • Amylases