Journal of the Serbian Chemical Society (Jan 2006)

Influence of N-1 substituent properties on binding affinities of arylpiperazines to the binding site of 5-HT1A receptor

  • Zlatović Mario V.,
  • Šukalović Vladimir V.,
  • Kostić-Rajačić Slađana V.,
  • Andrić Deana B.,
  • Roglić Goran M.

DOI
https://doi.org/10.2298/JSC0611125Z
Journal volume & issue
Vol. 71, no. 11
pp. 1125 – 1135

Abstract

Read online

Serotonin receptors (5-HTRs), especially the 5-HT1A subtype, have been the subject of intensive research for the past decade, due to their function in human physiology. Several structurally different classes of ligands are known to bind to the 5-HT1A receptor, but arylpiperazine derivatives are among the most important ligands. In the work, docking analyses were used to explain the binding affinities of a series of ligands with different N-1 substituent. All ligands had in common the arylpiperazine structure, while the N-1 subsistent was modified to investigate the influence of ligand structure on its binding affinity. The shape and size, as well as the rigidity of the subsistents were altered to investigate the possible effects on the formation of the receptor - ligand complex.

Keywords