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.
Publication types
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Comparative Study
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Research Support, Non-U.S. Gov't
MeSH terms
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Computer Simulation*
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Computer-Aided Design
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Drug Design*
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Ligands
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Models, Chemical
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Quantitative Structure-Activity Relationship
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Receptors, Serotonin / drug effects*
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Receptors, Serotonin, 5-HT4
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Serotonin Antagonists / chemistry
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Serotonin Antagonists / pharmacology
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Serotonin Receptor Agonists / chemistry
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Serotonin Receptor Agonists / pharmacology
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Software
Substances
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Ligands
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Receptors, Serotonin
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Serotonin Antagonists
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Serotonin Receptor Agonists
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Receptors, Serotonin, 5-HT4