0000000000148812
AUTHOR
Guenhaël Sanz
3D-QSAR study of ligands for a human olfactory receptor
Abstract Only about 350 olfactory receptors (OR) provide a basis for the remarkable ability of humans to recognise and discriminate a large number of odorants. A recent study reports the odorant repertoire of a human class II OR called OR1G1, including both agonists and antagonists. We used these affinity data to perform a 3D molecular modelling study of these ligands using Catalyst/HypoGen software (Catalyst v4.9.1, Accelrys Inc., San Diego, 2004) to propose alignment models for OR1G1 ligands. We obtained a triple-alignment model, which satisfactorily explained the experimental activities and was able both to predict the antagonist effects of some compounds and to identify new potent agoni…
Récepteurs olfactifs, modélisation et psychophysique... vers la compréhension du codage qualitatif des odeurs
National audience
3D-QSAR study of ligands for two human olfactory receptors
National audience
An olfactory receptor detects waxy, fatty and rose odors
An olfactory receptor detects waxy, fatty and rose odors. Salon Européen de la Recherche et de l’Innovation
3D-QSAR study of ligands for two human olfactory receptors
International audience; All living organisms, including human beings, are able to detect and discriminate myriads of structurally diverse odorants through their interaction with olfactory receptors (ORs) (1). It is well accepted that the perception of thousands of odors by about 380 ORs results from a combinatorial coding, in which one OR recognizes multiple odorants and different odorants are recognized by different combinations of ORs (2). In a previous study (3), the functional characterization on two human ORs, called OR1G1 (class II) and OR52D1 (class I) have been performed using 95 odorant molecules. We used these previously obtained functional data (3) to perform a molecular modellin…