含有胆固醇、麦角固醇和羊毛甾醇的二肉豆蔻酰磷脂酰胆碱双层膜结构的分子动力学模拟
Molecular dynamics simulation of the structure of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol.
作者信息
Smondyrev A M, Berkowitz M L
机构信息
Department of Chemistry, University of North Carolina at Chapel Hill, 27599 USA.
出版信息
Biophys J. 2001 Apr;80(4):1649-58. doi: 10.1016/S0006-3495(01)76137-1.
Abstract
Five molecular dynamics computer simulations were performed on different phospholipid:sterol membrane systems in order to study the influence of sterol structure on membrane properties. Three of these simulated bilayer systems were composed of a 1:8 sterol:phospholipid ratio, each of which employed one of the sterol molecules: cholesterol, ergosterol, and lanosterol. The two other simulations were of a bilayer with a 1:1 sterol:phospholipid ratio. These simulations employed cholesterol and lanosterol, respectively, as their sterol components. The observed differences in simulations with cholesterol and lanosterol may have their implication on the form of the phospholipid/sterol phase diagram.
摘要
为了研究甾醇结构对膜性质的影响，对不同的磷脂：甾醇膜系统进行了五次分子动力学计算机模拟。其中三个模拟双层系统由甾醇：磷脂比例为1:8组成，每个系统使用一种甾醇分子：胆固醇、麦角甾醇和羊毛甾醇。另外两个模拟是关于甾醇：磷脂比例为1:1的双层系统。这些模拟分别使用胆固醇和羊毛甾醇作为其甾醇成分。在使用胆固醇和羊毛甾醇的模拟中观察到的差异可能对磷脂/甾醇相图的形式有影响。
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