Identification of odorant molecules as novel CB1 receptor ligands through in silico approach

Karine Audouze (1) , Olivier Taboureau (2, 1) , Søren Brunak (1) , Kathryn Burton (3) , Christine Belloir (3) , Anne-Marie Le Bon (3) , Elisabeth Guichard (3) , Anne Tromelin (3)

1 Center for Biological Sequence Analysis, Department of Systems Biology
2 UMR-S973, MTi
3 CSGA - Centre des Sciences du Goût et de l'Alimentation [Dijon]

Obesity is characterized by a chronic imbalance of energy homeostasis. Interestingly, recent studies suggest that odorant molecules could have an impact on food intake through interactions with the endocannabinoid system. To explore this hypothesis, we performed in silico studies to identify odorant molecules that could interact with the CB1 receptor. Three molecules were found to be moderate inverse agonists of the CB1 receptor by in vitro functional assay, suggesting that the endocannabinoid system and odorant molecules could be proposed as a mechanism involved in the establishment of satiety.

Mots clés: 3D-QSaR; pharmacophore; chemogenomics; CB1 ligands; odorant molecules

Domaines: Alimentation et Nutrition

Karine Audouze, Olivier Taboureau, Søren Brunak, Kathryn Burton, Christine Belloir, et al.. Identification of odorant molecules as novel CB1 receptor ligands through in silico approach. SFCI2013 - 6e journées de la Société Française de Chemoinformatique, Oct 2013, Nancy, France. 1 p. ⟨hal-01578867⟩