Acetylcholinesterase inhibitory activity of Ocotea pomaderroides extracts: HPLC-MS/MS characterization and molecular modeling studies

Nat Prod Res. 2022 Feb;36(4):999-1003. doi: 10.1080/14786419.2020.1839453. Epub 2020 Nov 4.

Abstract

The present work describes the acetylcholinesterase inhibitory activity of Ocotea pomaderroides extracts besides the chemical composition of chromatographic fractions. The hexane, dichloromethane and ethyl acetate extract soluble fractions showed high Electrophorus electricus acetylcholinesterase (EelAChE) inhibition (92.18, 71.86 and 74.25%, respectively) while the butanolic and aqueous extracts showed moderate to low activities (44.48 and 20.74%, respectively). The high-performance liquid chromatography coupled with electrospray ionization multiple-stage mass spectrometry (HPLC-ESI-MSn) analysis led to the identification of the alkaloids and flavonol glycoside derivatives present in these extracts. The binding profile of the alkaloids and their atomic effect on 3D structure of Electrophorus electricus AchE (EelAChE) were assessed with molecular modeling.

Keywords: HPLC-ESI-MSn; Lauraceae; Ocotea pomaderroides; anticholinesterase activity; molecular modeling.

MeSH terms

  • Acetylcholinesterase / metabolism
  • Cholinesterase Inhibitors / pharmacology*
  • Chromatography, High Pressure Liquid
  • Ocotea* / chemistry
  • Plant Extracts* / chemistry
  • Plant Extracts* / pharmacology
  • Spectrometry, Mass, Electrospray Ionization
  • Tandem Mass Spectrometry

Substances

  • Cholinesterase Inhibitors
  • Plant Extracts
  • Acetylcholinesterase