ChemInform Abstract: Definition of a Pharmacophore for Partial Agonists of Serotonin 5-HT3 Receptors

Autor:	Isabelle Baglin, Ronan Bureau, Herve Prunier, Cyril Daveu, Jean-Charles Lancelot, Sylvain Rault
Rok vydání:	2010
Předmět:	Stereochemistry Chemistry Hydrogen bond General Medicine Serotonin Pharmacophore Receptor Ring (chemistry) Affinities Partial agonist Quaternary ammonium ions
Zdroj:	ChemInform. 30
ISSN:	1522-2667 0931-7597
DOI:	10.1002/chin.199928278
Popis:	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.
Databáze:	OpenAIRE
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