Role of Cholesterol on Binding of Amyloid Fibrils to Lipid Bilayers
Role of Cholesterol on Binding of Amyloid Fibrils to Lipid Bilayers
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DOI：
10.1021/acs.jpcb.0c00485
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发表时间：
2020-04-16
影响因子：
3.3
通讯作者：
Cruz, Luis
中科院分区：
文献类型：
--
作者：
Dias, Cristiano L.;Jalali, Sharareh;Cruz, Luis
分子动力学模拟被用来提供深入了解的分子机制占结合淀粉样蛋白纤维的脂质双层，并研究胆固醇在这一过程中的影响。我们发现，静电相互作用在纤维双层结合中起着重要作用，胆固醇调节这种相互作用。特别是，在胆固醇的存在下，正残基和脂质头部基团之间的相互作用变得更有利。与实验一致，我们发现胆固醇增强纤维膜结合。
Molecular dynamics simulations are used to provide insights into the molecular mechanisms accounting for binding of amyloid fibrils to lipid bilayers and to study the effect of cholesterol in this process. We show that electrostatic interactions play an important role in fibril-bilayer binding and cholesterol modulates this interaction. In particular, the interaction between positive residues and lipid head groups becomes more favorable in the presence of cholesterol. Consistent with experiments, we find that cholesterol enhances fibril-membrane binding.