[1]李敬,程杰.Na+在环八肽纳米管中的传输[J].华侨大学学报(自然科学版),2014,35(4):419-423.[doi:10.11830/ISSN.1000-5013.2014.04.0419]
　LI Jing,CHENG Jie.Na+ Transport in Cyclic Octa-Peptide Nanotube[J].Journal of Huaqiao University(Natural Science),2014,35(4):419-423.[doi:10.11830/ISSN.1000-5013.2014.04.0419]
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Na+在环八肽纳米管中的传输()
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《华侨大学学报（自然科学版）》[ISSN:1000-5013/CN:35-1079/N]

卷:
第35卷
期数:
2014年第4期
页码:
419-423
栏目:
出版日期:
2014-07-10

文章信息/Info

Title:
Na+ Transport in Cyclic Octa-Peptide Nanotube
文章编号:
1000-5013(2014)04-0419-05
作者:
李敬;  程杰
华侨大学 化工学院, 福建 厦门 361021
Author(s):
LI Jing;  CHENG Jie
College of Chemical Engineering, Huaqiao University, Xiamen 361021, China
关键词:
环肽纳米管;  跨膜离子通道;  拉伸动力学;  分子模拟;  传输
Keywords:
cyclic peptide nanotubes;  transmembrane ion channels;  steered molecular dynamics;  molecular modeling;  transport
分类号:
TQ460.1
DOI:
10.11830/ISSN.1000-5013.2014.04.0419
文献标志码:
A
摘要:
为了探究环肽纳米管介导离子和小分子物质的跨膜转运机制,以环八肽纳米管中Na+为模型,采用拉伸分子动力学方法,研究了Na+在自组装环八肽纳米管{cyclo［-(D-Ala-L-Ala-)4-］}10中的传输.Na+沿纳米管轴向拉力作用方向运动,在每个环平面波动较长时间,占据环中心位置,然后迅速通过环间,跃迁到下一环平面.研究结果表明:Na+以跳跃方式在环肽纳米管中传输的平均速度为0.837 m·s-1,其中在环平面的传输速度几乎为0,而在环间的瞬时传输速度可达350.8 m·s-1,平均传输速度为111.8 m·s-1.Na+在环肽纳米管内的环平面内受到阻力作用,在环间受到拉力作用.
Abstract:
In order to explore the mechanisms of cyclic peptide nanotube-mediated transmembrane transport of ions and small molecules, Na+ constrained in cyclic octa-peptide nanotube was selected as the model to investigate Na+ transport in the self-organized {cyclo［-(D-Ala-L-Ala-)4-］}10 peptide nanotube using steered molecular dynamics(SMD). Na+ moves along the pulling force direction which is parallel to the channel axis, and vibrates up and down at the center of every ring plane for a long time, then quickly jumps through the inter-ring to the next ring plane. The results show that in the jumping way Na+ transport through cyclic octa-peptide nanotube, the average transport rate is 0.837 m·s-1; the speed is almost zero at ring plane; while the instantaneous speed is up to 350.8 m·s-1 and the average rate is 111.8 m·s-1 between the middle planes. The force exerted on Na+ appears to be the resistance force at the ring plane and the pulling force between neighboring rings.

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相似文献/References:

[1]李敬,程杰.Na+在环八肽纳米管中的传输[J].华侨大学学报(自然科学版),2015,36(预先出版):0.
　LI Jing,CHENG Jie.Na+ Transport in Cyclic Octa-Peptide Nanotube[J].Journal of Huaqiao University(Natural Science),2015,36(4):0.

备注/Memo

备注/Memo:
收稿日期: 2013-07-17
通信作者: 程杰(1971-),女,讲师,主要从事药用纳米材料、模拟计算的研究.E-mail:chengj@hqu.edu.cn.
更新日期/Last Update: 2014-07-20