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Investigation of mouse eugenol olfactory receptor activated by eugenol, vanillin and ethyl vanillin: Steric and energetic characterizations.
International Journal of Biological Macromolecules ( IF 8.2 ) Pub Date : 2020-09-20 , DOI: 10.1016/j.ijbiomac.2020.09.119
Ismahene Ben Khemis 1 , Nesrine Mechi 1 , Abdelmottaleb Ben Lamine 1
Affiliation  

Steric and energetic characterizations were performed for the adsorption of eugenol (EG), vanillin and ethyl vanillin (EV) onto the mouse eugenol olfactory receptor mOR-EG by using a proposed model expression established by statistical physics methods. We started with a modeling of dose-response curves. The calculated curves fit well the experimental data and the physico-chemical model parameters can be used for the characterization of the interactions between the eugenol, vanillin and ethyl vanillin molecules and the mouse eugenol receptor and the determination of the olfactory band for these three odorant molecules through the determination of the adsorption energy values and the adsorption energy distributions. Furthermore, thermodynamic functions of the odorant adsorption such as the configurational entropy, Gibbs free enthalpy and internal energy were calculated and their negative values indicate that the adsorption process included in the olfaction mechanism was exothermic and spontaneous nature.



中文翻译:

丁香酚,香兰素和乙基香兰素激活的小鼠丁香酚嗅觉受体的研究:立体和能量表征。

通过使用统计物理方法建立的拟议模型表达式,对丁香酚(EG),香兰素和乙基香兰素(EV)吸附到小鼠丁香酚嗅觉受体mOR-EG上进行了立体和能量表征。我们从剂量反应曲线的建模开始。计算得到的曲线与实验数据吻合得很好,理化模型参数可用于表征丁香酚,香兰素和乙基香兰素分子与小鼠丁香酚受体之间的相互作用以及这三种气味分子的嗅觉带的确定。通过确定吸附能值和吸附能分布。此外,气味吸附的热力学功能,例如构型熵,

更新日期:2020-09-20
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