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外部电场对甘油和水分子通过水甘油通道蛋白-7渗透的影响:分子动力学模拟方法

Impacts of external electric fields on the permeation of glycerol and water molecules through aquaglyceroporin-7: molecular dynamics simulation approach.

作者信息

Rahimi Zeinab, Lohrasebi Amir

机构信息

Department of Physics, University of Isfahan, P.O. Box 81746-73441, Isfahan, Iran.

出版信息

Eur Phys J E Soft Matter. 2023 Jan 19;46(1):3. doi: 10.1140/epje/s10189-023-00261-2.

Abstract

The aquaglyceroporin-7 (AQP7) protein channels facilitate the permeation of glycerol and water molecules through cell membranes by passive diffusion and play a crucial role in cell physiology. Considering the wide-spirit usage of radiofrequency electromagnetic fields in our daily life, in this study, the effects of constant and GHz electric fields were investigated on the dynamics of glycerol and water molecules inside the AQP7. To this end, four different molecular simulation groups were carried out in the absence and presence of electric fields. The results reveal that the free energy profile of the glycerol permeation inside the channel is reduced in the presence of the field of 0.2 mV/nm and the oscillating field of 10 GHz. In addition, exposing the channel to the electric field of 0.2 mV/nm assisted the water transport through the channel with no considerable effect on channel stability. These observations provide a framework for understanding how such fields could alter normal operation of protein channels, which may lead to disease beginning or being used in disease treatment. Glycerol and water molecules permeation through the aquaglyceroporin-7 channel can be influenced by application of external electric fields.

摘要

水甘油通道蛋白7(AQP7)蛋白通道通过被动扩散促进甘油和水分子透过细胞膜,在细胞生理过程中发挥着关键作用。鉴于射频电磁场在我们日常生活中的广泛应用,本研究考察了恒定电场和吉赫兹电场对AQP7内部甘油和水分子动力学的影响。为此,在有无电场的情况下进行了四个不同的分子模拟组实验。结果表明,在0.2 mV/nm的电场和10 GHz的振荡电场存在时,通道内甘油渗透的自由能分布降低。此外,将通道暴露于0.2 mV/nm的电场有助于水通过通道运输,且对通道稳定性没有显著影响。这些观察结果为理解此类电场如何改变蛋白质通道的正常运作提供了一个框架,这可能导致疾病的发生或被用于疾病治疗。外部电场的施加会影响甘油和水分子通过水甘油通道蛋白7通道的渗透。

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