胆固醇在磷脂膜中的转运。
Cholesterol translocation in a phospholipid membrane.
机构信息
Department of Physics and Astronomy, University of Southern California, Los Angeles, CA, USA.
出版信息
Biophys J. 2013 Jun 4;104(11):2429-36. doi: 10.1016/j.bpj.2013.04.036.
Abstract
Cholesterol (CHOL) molecules play a key role in modulating the rigidity of cell membranes and controlling intracellular transport and signal transduction. Using an all-atom molecular dynamics approach, we study the process of CHOL interleaflet transport (flip-flop) in a dipalmitoylphosphatidycholine (DPPC)-CHOL bilayer over a time period of 15 μs. We investigate the effect of the flip-flop process on mechanical stress across the bilayer and the role of CHOL in inducing molecular order in bilayer leaflets. The simulations are carried out at physiologically relevant CHOL concentration (30%), temperature (323 K), and pressure (1 bar). CHOL flip-flop events are observed with a rate constant of 3 × 10⁴s⁻¹. Once a flip-flop event is triggered, a CHOL molecule takes an average of 73 nanoseconds to migrate from one bilayer leaflet to the other.
摘要
胆固醇（CHOL）分子在调节细胞膜的刚性和控制细胞内运输和信号转导方面发挥着关键作用。我们使用全原子分子动力学方法，在 15μs 的时间内研究了二棕榈酰磷脂酰胆碱（DPPC）-CHOL 双层中 CHOL 层间转运（翻转）的过程。我们研究了翻转过程对双层跨膜机械应力的影响以及 CHOL 在诱导双层叶状分子有序性方面的作用。模拟在生理相关的 CHOL 浓度（30%）、温度（323K）和压力（1 巴）下进行。CHOL 翻转事件的速率常数为 3×10^4s^-1。一旦翻转事件被触发，CHOL 分子平均需要 73 纳秒从一个双层叶状层迁移到另一个。
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