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化学学报
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化学学报 ›› 2011, Vol. 69 ›› Issue (02): 145-152. 上一篇    下一篇

研究论文

布朗动力学理论模拟动态肌动蛋白纤维的增长

郭坤琨*,1，韩文驰2   

  1. (1湖南大学材料科学与工程学院 长沙 410082)
    (2沈阳化工大学材料科学与工程学院 沈阳 110142)
  • 投稿日期:2010-06-18 修回日期:2010-08-24 发布日期:2010-09-17
  • 通讯作者: 郭坤琨 E-mail:kunkunguo@hnu.edu.cn
  • 基金资助:

    细胞骨架的增长以及其在细胞运动中的作用机理

Growth of Dynamic Actin Filament via Brownian Dynamics Simulations

Guo Kunkun*,1 Han Wenchi2   

  1. (1 College of Materials Science and Technology, Hunan University, Changsha 410082)
    (2 College of Materials Science and Technology, Shenyang University of Chemical Technology, Shenyang 110142)
  • Received:2010-06-18 Revised:2010-08-24 Published:2010-09-17
  • Contact: Kun kunkunkun E-mail:kunkunguo@hnu.edu.cn
  • Supported by:

    The growth of cytoskeleton and its mechanism to cell movement

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被引次数

14

肌动蛋白的聚合耦合三磷酸腺酐(ATP)分子水解成二磷酸腺苷(ADP)分子和磷酸(Pi)的释放两个过程. 因此, 肌动蛋白纤维上的原聚体存在三种不同状态, 即分别结合ATP, ADP/Pi和ADP分子. 原聚体的不同状态导致纤维具有不同的空间图谱, 这些状态的空间分布将影响纤维的各种行为. 为此，建立了相应的分子模型，在布朗动力学模拟中实现了遵循时间演化的连续马尔可夫随机过程的解聚和水解反应; 重点阐述了如何实现纤维两端的聚合和解聚达到化学平衡的方法, 并系统研究了纤维在结合ATP分子的肌动蛋白单体溶液中的增长行为.

关键词: 布朗动力学, 肌动蛋白纤维, 聚合, 解聚

Actin polymerization is coupled with the hydrolysis of adenosine triphosphate (ATP). The hydrolysates of ATP are adenosine diphosphate (ADP) and inorganic phosphate (Pi). Therefore, each protomer within the actin filament can exhibit three different nucleotide states corresponding to bounded ATP, ADP/Pi and ADP molecules. These protomer states cause the filaments to form different spatial patterns, which will change various properties of the filament. The related model has been made to simulate the process of polymerization, depolymerization and hydrolysis via Brownian dynamics simulations, where the time evolution of depolymerization and hydrolysis is described as a continuous-time Markov process. In this paper, we focus on how to realize the chemical equilibrium between two ends of the filament, and study the growth behavior of long filaments as a function of ATP-actin monomer concentration.

Key words: brownian dynamics, actin filament, polymerization, depolymerization