Study of interactions between odorant molecules and the hOR1G1 olfactory receptor by molecular modeling

Abstract EN

In order to initiate the process of determining how the molecular level receptor-odorant interactions are related to odor perception, we used the SWISS-MODEL modeling server to predict the three dimensional (3D) structure of the human olfactory receptor (hOR1G1).

The model was refined using minimization and side-chain optimization using SCWRL.

We then used the Autodockvina and Autodock tools to predict the binding site and binding energy for the library of 13 odorants characterized by different retention/release property values to hOR1G1 receptor, to investigate the relationship between this property and the ligandhOR1G1 interactions.

We find that when the retention property increases, hydrogen bond interactions between ligands and olfactory receptor (hOR1G1) become favorable.