Spiroxatrine derivatives towards 5-HT1A receptor selectivity

Pharmacol Rep. 2020 Apr;72(2):427-434. doi: 10.1007/s43440-019-00039-4. Epub 2020 Jan 30.

Abstract

Background: In our previous work, spiroxatrine was taken as reference compound to develop selective NOP ligands. Therefore, several triazaspirodecanone derivatives were synthesized. Here, we verify their selectivity towards other 5-HT1 receptor subtypes and with respect to α2-AR (Adrenergic Receptors).

Methods: Binding affinities were determined on cells expressing human cloned receptors for 5-HT1A/B/D and α2A/B/C subtypes. The Ki values were determined for those with at least 50% radioligand inhibition.

Results: All our derivatives show a moderate affinity for α2 subtypes, spanning from 5 to 7.5 pKi values. Moreover, they show affinity values in a μM-nM range at the 5-HT1A receptor, while they are practically inactive at 5-HT1B and 5-HT1D subtypes. Compound 11, the best of the series, has a 5-HT1A pKi value of 8.43 similar to spiroxatrine but, notably, it has a 5-HT1A favorable selectivity ratio of 52, 8 and 29, respectively over α2A, α2B and α2C adrenoceptor subtypes.

Conclusions: In this SAR study, a 5-HT1A selective ligand has been identified in which a tetralone moiety replaced the 1,4-benzodioxane of spiroxatrine and the methylene linker to the triazaspirodecanone portion was maintained in position 2.

Keywords: 5-HT1A receptor; NOP ligands; SAR studies; Spiroxatrine derivatives; α2-Adrenoceptors.

MeSH terms

  • Animals
  • Binding, Competitive
  • CHO Cells
  • Cricetulus
  • Dioxanes / chemistry
  • Dioxanes / metabolism
  • Dioxanes / pharmacology*
  • Drug Discovery*
  • Humans
  • Ligands
  • Molecular Structure
  • Protein Binding
  • Radioligand Assay
  • Receptor, Serotonin, 5-HT1A / genetics
  • Receptor, Serotonin, 5-HT1A / metabolism*
  • Receptors, Adrenergic, alpha-2 / genetics
  • Receptors, Adrenergic, alpha-2 / metabolism
  • Recombinant Proteins / genetics
  • Recombinant Proteins / metabolism
  • Spiro Compounds / chemistry
  • Spiro Compounds / metabolism
  • Spiro Compounds / pharmacology*
  • Structure-Activity Relationship

Substances

  • Dioxanes
  • Ligands
  • Receptors, Adrenergic, alpha-2
  • Recombinant Proteins
  • Spiro Compounds
  • Receptor, Serotonin, 5-HT1A
  • spiroxatrine