Computational methods in determination of pharmacophore models of 5-HT(1A), 5-HT(2A) and 5-HT(7) receptors

Mini Rev Med Chem. 2013 Jun;13(7):933-51. doi: 10.2174/1389557511313070001.

Abstract

The present paper discusses models of 5-HT(1A) and 5-HT(2A) receptors, developed by conformational analysis and 3D-QSAR methods. Hypotheses concerning the ligand-5-HT(7) receptor interaction were complemented by models constructed on the basis of the receptor's structure. Various pharmacophore concepts are supported by structures of exemplary ligands and groups of compounds, derived from chain polycyclic arylpiperazines, used for models generations.

Publication types

  • Review

MeSH terms

  • Humans
  • Ligands
  • Models, Molecular
  • Molecular Structure
  • Piperazines / chemistry*
  • Piperazines / pharmacology
  • Polycyclic Compounds / chemistry*
  • Polycyclic Compounds / pharmacology
  • Quantitative Structure-Activity Relationship*
  • Receptor, Serotonin, 5-HT1A / chemistry*
  • Receptor, Serotonin, 5-HT1A / metabolism
  • Receptor, Serotonin, 5-HT2A / chemistry*
  • Receptor, Serotonin, 5-HT2A / metabolism
  • Receptors, Serotonin / chemistry*
  • Receptors, Serotonin / metabolism

Substances

  • Ligands
  • Piperazines
  • Polycyclic Compounds
  • Receptor, Serotonin, 5-HT2A
  • Receptors, Serotonin
  • serotonin 7 receptor
  • Receptor, Serotonin, 5-HT1A