Discovery of natural TRPA1 activators through pharmacophore-based virtual screening and a biological assay

Bioorg Med Chem Lett. 2021 Jan 1:31:127639. doi: 10.1016/j.bmcl.2020.127639. Epub 2020 Oct 29.

Abstract

Transient receptor potential cation channel subfamily A member 1 (TRPA1), a member of the transient receptor potential family, detects a wide range of environmental stimuli, such as low temperature, abnormal pH, and reactive irritants. TRPA1 is of great interest as a target protein in fields related to pharmaceuticals and foods. In this study, a library of natural products was explored to identify TRPA1 activators by pharmacophore screening of known TRPA1 agonists and biological assays for agonist activity. The study identified six natural compounds as novel TRPA1 agonists. The discovery of these compounds may prove useful in elucidating the TRPA1 activation mechanism.

Keywords: Natural compounds; Novel TRPA1 agonists; Pharmacophore screening; Transient receptor potential cation channel subfamily A member 1.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Biological Products / chemistry
  • Biological Products / pharmacology*
  • Dose-Response Relationship, Drug
  • Drug Discovery*
  • Drug Evaluation, Preclinical
  • Humans
  • Molecular Structure
  • Structure-Activity Relationship
  • TRPA1 Cation Channel / agonists*

Substances

  • Biological Products
  • TRPA1 Cation Channel
  • TRPA1 protein, human