胆固醇与含PUFA磷脂作用的分子动力学影响研究

Molecular Dynamics Effects of Cholesterol on PUFA-containing Phospholipids

通过分子动力学研究了胆固醇对含有PUFA的SDPC磷脂双层膜的影响,引入了单不饱和的SOPC磷脂膜进行对比。模拟结果表明,加入胆固醇能够提高脂膜的有序度,增加脂膜的厚度。该效果在胆固醇的摩尔浓度为25%左右增大了两种磷脂的差异,在50%左右差异减小。通过对胆固醇周围最近邻磷脂链密度的分析发现,低饱和度的DHA链影响了SDPC中饱和链与胆固醇的相互作用,说明一定浓度下的胆固醇可能通过对PUFA微区性质的调节,促进细胞膜中不同饱和度磷脂的液相分离。

The study analyzes the influence of cholesterol on the double layer coating of PUFA-containing phospholipids with molecular dynamics,and compares it with monounsaturated SOPC phospholipid membrane.The simulation results show that cholesterol can improve the order degree,and increase thickness of panniculus adiposus.This effect increases the difference between the two phospholipids when the molar concentration of cholesterol is about 25%,and decreases when the molar concentration of cholesterol is about 50%.Through the analysis of the nearest neighbor phospholipid chain density around cholesterol,it is found that low saturation DHA chain influences the interaction between saturation chain of SDPC and cholesterol,indicating that cholesterol under certain concentration can promote liquid phase separation of phospholipid with different saturabilities through the adjustment of PUFA microcell characteristics.