Dual Sigma-1 receptor antagonists and hydrogen sulfide-releasing compounds for pain treatment: Design, synthesis, and pharmacological evaluation

Eur J Med Chem. 2022 Feb 15:230:114091. doi: 10.1016/j.ejmech.2021.114091. Epub 2022 Jan 1.

Abstract

The development of σ1 receptor antagonists hybridized with a H2S-donor is here reported. We aimed to obtain improved analgesic effects when compared to σ1 receptor antagonists or H2S-donors alone. In an in vivo model of sensory hypersensitivity, thioamide 1a induced analgesia which was synergistically enhanced when associated with the σ1 receptor antagonist BD-1063. The selective σ1 receptor agonist PRE-084 completely reversed this effect. Four thioamide H2S-σ1 receptor hybrids (5a-8a) and their amide derivatives (5b-8b) were synthesized. Compound 7a (AD164) robustly released H2S and showed selectivity for σ1 receptor over σ2 and opioid receptors. This compound induced marked analgesia that was reversed by PRE-084. The amide analogue 7b (AD163) showed only minimal analgesia. Further studies showed that 7a exhibited negligible acute toxicity, together with a favorable pharmacokinetic profile. To the best of our knowledge, compound 7a is the first dual-acting ligand with simultaneous H2S-release and σ1 antagonistic activities.

Keywords: Analgesia; Antagonist; Dual ligands; Hydrogen sulfide donor; Sigma-1 receptor.

MeSH terms

  • Animals
  • Guinea Pigs
  • Hydrogen
  • Hydrogen Sulfide*
  • Ligands
  • Male
  • Morpholines / pharmacology*
  • Pain / drug therapy*
  • Piperazines / pharmacology*
  • Rats
  • Rats, Sprague-Dawley
  • Receptors, sigma* / antagonists & inhibitors
  • Sigma-1 Receptor

Substances

  • 1-(2-(3,4-dichlorophenyl)ethyl)-4-methylpiperazine
  • Ligands
  • Morpholines
  • Piperazines
  • Receptors, sigma
  • 2-(4-morpholino)ethyl-1-phenylcyclohexane-1-carboxylate
  • Hydrogen
  • Hydrogen Sulfide