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Molecular design based on 3D-pharmacophore. Application to 5-HT4 receptor
Ronan Bureau1, Cyril Daveu, Stéphane Lemaître
1Centre d'Etudes et de Recherche sur le Médicament de Normandie, Université de Caen, 1, rue Vaubénard, 14032 Caen, France.
Journal of Chemical Information and Computer Sciences
|July 23, 2002
Abstract:
A definition of a pharmacophore for the 5-HT4 antagonist was carried out by considering a three-dimensional model which correlates the chemical structures of series of antagonists with their biological affinities. A molecular design is described by analyzing the differences between two 3D serotonin pharmacophores. This successful structural modification demonstrates the efficiency of this approach to design new serotonin ligands.