纳秒电脉冲作用下KcsA-膜蛋白体系电穿孔的分子动力学模拟（英文）

Electroporation of KcsA Membrane Protein System under Nanosecond Pulsed Electric Field:a Molecular Dynamics Simulation

电穿孔是由外加电场诱导细胞膜产生孔洞的过程,目前已经广泛地用于生命科学相关的实验研究中,同时在临床应用方面显示出了越来越多的潜力。真空电子器件可产生强电磁脉冲,从而可以用来引起细胞膜的电穿孔,为了从分子层面研究KcsA-膜蛋白体系电穿孔的物理机制,利用分子动力学的方法,计算模拟了不同幅值纳秒电脉冲作用下KcsA-膜蛋白体系的穿孔过程。结果表明,随着纳秒电脉冲幅值的增大,体系穿孔完成所需的时间减小,同时孔出现的位置距KcsA蛋白较远,这一研究为电穿孔在生物医学方面的应用提供了相应的理论指导。

Electroporation,electric field induced aqueous-filled pores of the cell membrane,is used widely in laboratories and increasingly in the clinic.The electroporation can be induced by vacuum electronic devices which can produce strong electromagnetic pulse.In order to study the molecular mechanism of electroporation of the KcsA membrane protein system,the whole process driven by nanosecond pulsed electric field with different amplitudesis simulatedby using molecular dynamics.It turns out that the electroporation formation time decreases with theincreasing magnitude of nanosecond pulsed electric field and pores are far away from the KcsA protein.A theoretical guidance for biomedical applications of electroporation is provided in this study.