title: Computational methods in determination of pharmacophore models of 5-HT(1A), 5-HT(2A) and 5-HT(7) receptors.
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.
authors.affiliation: Department of Medical Chemistry, Medical University of Warsaw, Oczki 3 Street, 02-007 Warsaw, Poland. anna.bielenica@wum.edu.pl
authors.forename: Anna
authors.initials: A
authors.lastname: Bielenica
authors.forename: Anna E
authors.initials: AE
authors.lastname: Kozioł
authors.forename: Marta
authors.initials: M
authors.lastname: Struga
mesh_terms: D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D010879:Piperazines / Q000737:chemistry* / Q000494:pharmacology; D011083:Polycyclic Compounds / Q000737:chemistry* / Q000494:pharmacology; D021281:Quantitative Structure-Activity Relationship; D044282:Receptor, Serotonin, 5-HT1A / Q000737:chemistry* / Q000378:metabolism; D044402:Receptor, Serotonin, 5-HT2A / Q000737:chemistry* / Q000378:metabolism; D011985:Receptors, Serotonin / Q000737:chemistry* / Q000378:metabolism
chemical_list: D008024:Ligands; D010879:Piperazines; D011083:Polycyclic Compounds; D044402:Receptor, Serotonin, 5-HT2A; D011985:Receptors, Serotonin; C104425:serotonin 7 receptor; D044282:Receptor, Serotonin, 5-HT1A