Chemical Senses Advance Access originally published online on July 5, 2008
Chemical Senses 2008 33(7):639-653; doi:10.1093/chemse/bjn032
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Relationships Between Molecular Structure and Perceived Odor Quality of Ligands for a Human Olfactory Receptor
1 Institut National de la Recherche Agronomique, Unité Minte de Recherche 1197 Neurobiologie de l'Olfaction et de la Prise Alimentaire, F-78352 Jouy-en-Josas, France 2 Institut National de la Recherche Agronomique, Unité Minte de Recherche 1129 Flaveur Vision et Comportement du Consommateur, F-21000 Dijon, France 3 Present address: Biotechnology Centre of Oslo, University of Oslo, Norway
Correspondence to be sent to: Guenhaël Sanz, INRA, UMR 1197 Neurobiologie de l'Olfaction et de la Prise Alimentaire, Biochimie de l'Olfaction et de la Gustation, F-78352 Jouy-en-Josas. e-mail: guenhael.sanz{at}jouy.inra.fr
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Abstract |
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Perception of thousands of odors by a few hundreds of olfactory receptors (ORs) results from a combinatorial coding, in which one OR recognizes multiple odorants and an odorant is recognized by a specific group of ORs. Moreover, odorants could act both as agonists or antagonists depending on the OR. This dual agonist–antagonist combinatorial coding is in good agreement with behavioral and psychophysical observations of mixture perception. We previously described the odorant repertoire of a human OR, OR1G1, identifying both agonists and antagonists. In this paper, we performed a 3D-quantitative structure–activity relationship (3D-QSAR) study of these ligands. We obtained a double-alignment model explaining previously reported experimental activities and permitting to predict novel agonists and antagonists for OR1G1. These model predictions were experimentally validated. Thereafter, we evaluated the statistical link between OR1G1 response to odorants, 3D-QSAR categorization of OR1G1 ligands, and their olfactory description. We demonstrated that OR1G1 recognizes a group of odorants that share both 3D structural and perceptual qualities. We hypothesized that OR1G1 contributes to the coding of waxy, fatty, and rose odors in humans.
Key words: 3D-QSAR, odor quality, odorant detection, odorant structure
Accepted 4 June 2008
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