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中国物理学会期刊

太赫兹波对钾离子通道蛋白二级结构影响的分子动力学模拟

CSTR: 32037.14.aps.70.20211725

Molecular dynamics simulation of effect of terahertz waves on the secondary structure of potassium channel proteins

CSTR: 32037.14.aps.70.20211725
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  • 钾离子通道在神经细胞动作电位复极过程中起着重要作用. 钾离子通道蛋白种类繁多, 钾离子通道允许钾离子特异性穿过细胞膜, 从而维持神经细胞静息电位. 离子通道蛋白的二级结构决定其功能特性, 皮秒尺度内二级结构的波动会对离子通道蛋白的功能, 即离子通过速率有很大的影响. 本文使用分子动力学模拟方法, 模拟施加不同幅值的53.7 THz的太赫兹波对真实KcsA钾通道蛋白二级结构和钾离子通过速率的影响. 研究发现, 在53.7 THz的太赫兹波的作用下, KcsA钾通道蛋白中α螺旋数量减少, β折叠以及卷曲数量增加. 此外, 53.7 THz的太赫兹波能够加速钾离子通过KcsA钾通道. 本文从蛋白质的二级结构分析太赫兹波对钾离子通道蛋白的影响, 为太赫兹波和生物功能分子相互作用之间提供了新的观察角度.

     

    Potassium channels play an important role in repolarizing the nerve cell action potentials. There are many types of potassium channel proteins, and potassium channels allow potassium ions to specifically pass through the cell membrane, thereby maintaining the resting potential of nerve cells. In this paper, molecular dynamics simulation method is used to simulate the effects of 53.7 THz terahertz wave with different amplitudes on the secondary structure of KcsA potassium channel protein and the potassium ions rate. It is found in this study that under the action of the 53.7 THz terahertz wave, the number of alpha helices in KcsA potassium channel protein decreases, and the number of beta sheets and the number of coils increase. In addition, the 53.7 THz terahertz wave can accelerate potassium ions through the KcsA potassium channel. In this article, the effects of terahertz waves on potassium channel proteins are analyzed through the secondary structure of proteins, and a new perspective for the interaction between terahertz waves and biological functional molecules is presented as well.

     

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