Role of Cholesterol on Binding of Amyloid Fibrils to Lipid Bilayers

被引:22
|
作者
Dias, Cristiano L. [1 ]
Jalali, Sharareh [1 ]
Yang, Yanxing [1 ]
Cruz, Luis [2 ]
机构
[1] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA
[2] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2020年 / 124卷 / 15期
基金
美国国家科学基金会;
关键词
GRAINED FORCE-FIELD; A-BETA PEPTIDE; ALZHEIMERS-DISEASE; COMPUTATIONAL LIPIDOMICS; MEMBRANE; AGGREGATION; POLYPEPTIDE; MECHANISMS; OLIGOMERS; MODEL;
D O I
10.1021/acs.jpcb.0c00485
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:3036 / 3042
页数:7
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