Evidence for a mechanism by which ω-3 polyunsaturated lipids may affect membrane protein function
Evidence for a mechanism by which ω-3 polyunsaturated lipids may affect membrane protein function
复制标题
DOI：
10.1021/bi050822e
复制
发表时间：
2005-08-02
期刊：
影响因子：
2.9
通讯作者：
Feller, SE
中科院分区：
文献类型：
--
作者：
Carrillo-Tripp, M;Feller, SE
我们已经计算出的侧向压力分布收敛良好，实验验证，分子动力学模拟含有高度多不饱和脂肪酸的水合脂质双层膜。这三个模拟，每个30 ns的长度，含有ω-3脂肪酸，ω-6脂肪酸，ω-3脂肪酸和胆固醇的混合物，并继续从以前发表的模拟，表现出良好的协议与各种各样的实验测量。我们发现，膜的疏水核心内的横向应力的分布是敏感地依赖于链的不饱和度和胆固醇的存在下。用ω-6链取代ω-3脂肪酸，或将胆固醇掺入膜中，将排斥性侧链压力从脂质/水界面移向双层内部。这可能支持先前提出的机制，脂质成分可能会影响整合膜蛋白的构象平衡。
We have calculated the lateral pressure profile from well-converged, experimentally validated, molecular dynamics simulations of hydrated lipid bilayer membranes containing highly polyunsaturated fatty acids. The three simulations, each 30 ns in length, contain omega-3 fatty acids, omega-6 fatty acids, and a mixture of omega-3 fatty acids and cholesterol and were continued from previously published simulations that demonstrated excellent agreement with a wide variety of experimental measurements. We find that the distribution of lateral stress within the hydrophobic core of the membrane is sensitively dependent on the degree of chain unsaturation and on the presence of cholesterol. Replacing omega-3 fatty acids with omega-6 chains, or incorporating cholesterol into the membrane, shifts the repulsive lateral chain pressure away from the lipid/water interface toward the bilayer interior. This may support a previously proposed mechanism by which lipid composition may affect conformational equilibrium for integral membrane proteins.