Molecular dynamics simulations of SOPS and sphingomyelin bilayers containing cholesterol
Molecular dynamics simulations of SOPS and sphingomyelin bilayers containing cholesterol
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DOI：
10.1529/biophysj.106.096214
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发表时间：
2007-02-15
影响因子：
3.4
通讯作者：
Berkowitz, Max L.
中科院分区：
文献类型：
--
作者：
Bhide, Shreyas Y.;Zhang, Zhancheng;Berkowitz, Max L.
我们对不对称双层进行了分子动力学模拟，该双层在其外叶和内叶中含有不同的脂类混合物。外叶含有鞘磷脂(SM)和胆固醇的混合物，内叶是硬脂酰油酰磷脂酰丝氨酸(SOPS)和胆固醇的混合物。为了比较的目的，我们还对对称双层进行了两次模拟：第一次模拟是在含有SOPS和胆固醇的二元混合物的双层上进行的；第二次是在SM和胆固醇的混合物上进行的。我们在模拟中研究了双分子膜的氢键网络，以及单分子膜中SM和SOP的网络性质的差异。我们观察到，在不对称双层中，单分子膜的性质与对称双层中相应的单分子膜中的性质相同。
We performed a molecular dynamics simulation of an asymmetric bilayer that contained different lipid mixtures in its outer and inner leaflets. The outer leaflet contained a mixture of sphingomyelin (SM) with cholesterol and the inner leaflet a mixture of stearoyl-oleoyl-phosphatidylserine (SOPS) with cholesterol. For comparison purposes, we also performed two simulations on symmetric bilayers: the first simulation was performed on a bilayer containing a binary mixture of SOPS with cholesterol; the second contained a mixture of SM with cholesterol. We studied the hydrogen-bonding network of the bilayers in our simulations and the difference in the network properties in the monolayers either with SM or SOPS. We observed that in the asymmetric bilayer the properties of monolayers were the same as in the corresponding monolayers in the symmetric bilayers.