Drimane Sesquiterpenoids Noncompetitively Inhibit Human α4β2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human α3β4 and α7 Subtypes

J Nat Prod. 2018 Apr 27;81(4):811-817. doi: 10.1021/acs.jnatprod.7b00893. Epub 2018 Apr 10.

Abstract

The drimane sesquiterpenoids drimenin, cinnamolide, dendocarbin A, and polygodial were purified from the Canelo tree ( Drimys winteri) and chemically characterized by spectroscopic methods. The pharmacological activity of these natural compounds were determined on hα4β2, hα3β4, and hα7 nicotinic acetylcholine receptors (AChRs) by Ca2+ influx measurements. The results established that drimane sesquiterpenoids inhibit AChRs with the following selectivity: hα4β2 > hα3β4 > hα7. In the case of hα4β2 AChRs, the following potency rank order was determined (IC50's in μM): drimenin (0.97 ± 0.35) > cinnamolide (1.57 ± 0.36) > polygodial (62.5 ± 19.9) ≫ dendocarbin A (no activity). To determine putative structural features underlying the differences in inhibitory potency at hα4β2 AChRs, additional structure-activity relationship and molecular docking experiments were performed. The Ca2+ influx and structural results supported a noncompetitive mechanism of inhibition, where drimenin interacted with luminal and nonluminal (TMD-β2 intrasubunit) sites. The structure-activity relationship results, i.e., the lower the ligand polarity, the higher the inhibitory potency, supported the nonluminal interaction. Ligand binding to both sites might inhibit the hα4β2 AChR by a cooperative mechanism, as shown experimentally ( nH > 1). Drimenin could be used as a molecular scaffold for the development of more potent inhibitors with higher selectivity for the hα4β2 AChR.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Cell Line
  • HEK293 Cells
  • Humans
  • Ligands
  • Molecular Docking Simulation / methods
  • Polycyclic Sesquiterpenes
  • Receptors, Nicotinic / metabolism*
  • Sesquiterpenes / pharmacology*
  • Structure-Activity Relationship
  • Terpenes / pharmacology*
  • alpha7 Nicotinic Acetylcholine Receptor / metabolism*

Substances

  • Ligands
  • Polycyclic Sesquiterpenes
  • Receptors, Nicotinic
  • Sesquiterpenes
  • Terpenes
  • alpha7 Nicotinic Acetylcholine Receptor
  • drimane
  • nicotinic receptor alpha3beta4
  • nicotinic receptor alpha4beta2
  • polygodial