Open AccessStudy of interactions between odorant molecules and the hOR1G1 olfactory receptor by molecular modeling
Author(s) -
Assia Belhassan,
Hanane Zaki,
Samir Chtita,
Mohamed Benlyas,
Tahar Lakhlifi,
Mohammed Bouachrıne
Publication year - 2017
Publication title -
egyptian journal of ear nose throat and allied sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.108
H-Index - 8
eISSN - 2090-3405
pISSN - 2090-0740
DOI - 10.1016/j.ejenta.2017.11.004
Subject(s) - olfactory receptor , autodock , odor , receptor , molecular model , olfaction , hydrogen bond , computational biology , ligand (biochemistry) , biological system , stereochemistry , biophysics , chemistry , computer science , molecule , biology , neuroscience , biochemistry , gene , organic chemistry , in silico
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 ligand-hOR1G1 interactions. We find that when the retention property increases, hydrogen bond interactions between ligands and olfactory receptor (hOR1G1) become favorable
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