1. 3D-quantitative structure-activity relationships study of ligands for two human olfactory receptors
- Author
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Tromelin, Anne, Sanz, Guenhaël, Briand, Loïc, Pernollet, J Claude, GUICHARD, Elisabeth, FLAveur, VIsion et Comportement du consommateur (FLAVIC), Etablissement National d'Enseignement Supérieur Agronomique de Dijon (ENESAD)-Institut National de la Recherche Agronomique (INRA)-Université de Bourgogne (UB), Neurobiologie de l'Olfaction et Modélisation en Imagerie (NOeMI), Institut National de la Recherche Agronomique (INRA), Université Paris-Sud - Paris 11 (UP11), Imre Blank, Matthias Wüst, and Chahan Yeretzian
- Subjects
taste ,ors ,research ,flavor ,olfactory receptor ,3d qsar ,[SDV]Life Sciences [q-bio] ,[SDV.IDA]Life Sciences [q-bio]/Food engineering ,mammals ,[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering ,[INFO]Computer Science [cs] ,olfaction - Abstract
International audience; The perception of thousands of odours by about 380 human olfactory receptors (ORs) results from a combinatorial coding, in which one OR recognizes multiple odorants and odorants are recognized by different combinations of ORs. We used data of 95 odorant molecules tested on two human ORs, OR1G1 (class II) and OR52D1 (class I), to perform a 3D molecular modelling study of ligands using Catalyst/HypoGen software. The sorting-out procedure previously used for OR1G1 ligands was transposed to OR52D1 ligands. The 3D-QSAR models obtained for OR1G1 and OR52D1 ligands essentially differ by distance between their features. This result suggests a path to decipher the odotopes of OR1G1 and OR52D1 agonists in order to investigate the role of ORs in olfactory coding.
- Published
- 2010
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