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丁香酚、香草醛和乙基香草醛激活小鼠 Eugenol 嗅觉受体的研究:立体和能量特征。

Investigation of mouse eugenol olfactory receptor activated by eugenol, vanillin and ethyl vanillin: Steric and energetic characterizations.

机构信息

Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019 Monastir, Tunisia.

Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019 Monastir, Tunisia.

出版信息

Int J Biol Macromol. 2020 Nov 15;163:2325-2333. doi: 10.1016/j.ijbiomac.2020.09.119. Epub 2020 Sep 20.

Abstract

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.

摘要

利用统计物理方法建立的模型表达式,对丁香酚(EG)、香草醛和乙基香草醛(EV)在小鼠丁香酚嗅觉受体 mOR-EG 上的吸附进行了立体和能量特征描述。我们从剂量反应曲线的建模开始。计算出的曲线很好地拟合了实验数据,物理化学模型参数可用于表征丁香酚、香草醛和乙基香草醛分子与小鼠丁香酚受体之间的相互作用,并通过确定吸附能值和吸附能分布来确定这三个气味分子的嗅觉带。此外,还计算了气味吸附的热力学函数,如构象熵、吉布斯自由焓和内能,其负值表明嗅觉机制中包含的吸附过程是放热和自发的。

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