title: Definition of a pharmacophore for partial agonists of serotonin 5-HT3 receptors.
abstract: A definition of a partial agonists serotonin 5-HT3 pharmacophore was carried out by considering a three-dimensional model which correlates the chemical structures of series of piperazinopyrrolothienopyrazines, piperazinopyridopyrrolopyrazines, piperazinopyrroloquinolaxines, piperazinopyridopyrroloquinoxalines, aminoalkyloximinopyrroloindoles, aminoalkyloximinothienopyrrolizines, and aminoalkyloximinopyrrolizines with the biological affinities. The model is formed by five features corresponding to two hydrogen bond acceptors, one aromatic ring, one hydrophobic group, and one positive ionizable site (quaternary ammonium ions). The nature of the features and the distances between them explain the partial agonist activities of these compounds.
authors: Centre d'Etudes et de Recherche sur le Médicament de Normandie, Université de Caen, France.
authors: C
authors: C
authors: Daveu
authors: R
authors: R
authors: Bureau
authors: I
authors: I
authors: Baglin
authors: H
authors: H
authors: Prunier
authors: J C
authors: JC
authors: Lancelot
authors: S
authors: S
authors: Rault
mesh_terms: D004353:Drug Evaluation, Preclinical; D066298:In Vitro Techniques; D008958:Models, Molecular; D011985:Receptors, Serotonin / Q000187:drug effects*; D044406:Receptors, Serotonin, 5-HT3; D017366:Serotonin Receptor Agonists / Q000737:chemistry* / Q000494:pharmacology*; D012984:Software; D055672:Static Electricity; D013329:Structure-Activity Relationship
chemical_list: D011985:Receptors, Serotonin; D044406:Receptors, Serotonin, 5-HT3; D017366:Serotonin Receptor Agonists