Molecular mechanisms of direct and indirect interplay between amyloid𝛽β42 oligomer and characteristic lipids
作者机构：School of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China
出 版 物：《ChemPhysMater》 (化学物理材料（英文）)
年 卷 期：2022年第1卷第4期
页 面：310-320页
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070305[理学-高分子化学与物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学]
基 金：supported by Shandong Provincial Natural Science Foundation(ZR2017MB008) Shandong Provincial Key Research&Development Plan(Public Welfare Special Project)(2018GSF118005)of China
主 题：Aβoligomers Lipid membrane destruction Aggregation Molecular mechanism Water phase
摘 要：Accumulating evidence suggests that toxicity in patients with Alzheimer’s disease originates from the deposition of Aβ42 aggregates on the neuronal cell ***,the molecular mechanism underlying Aβ42 aggrega-tion on the surface of different lipids is poorly *** this study,coarse-grained and all-atomic molecular dynamics(MD)simulations were used to characterize the assembly process of two Aβ42 pentameric oligomers and the perturbation“footprintsof three characteristic lipid constitute bilayer membranes:POPC,POPG,and their hybrid PcPg composed of POPG and POPC in a 1:3 *** results revealed that the Aβ decamer was first formed in the water phase prior to its contact with the lipid surface,indicating that the water phase plays an incubation role in Aβ42 oligomer ***,the presence of any of the three lipids accelerated the assembly process of the two Aβ42 *** aggregation rate and aggregate conformation were strictly dependent on lipid charge,oligomer size,and degree of *** turn,the presence of oligomer impacted the surface of the lipid,generating a clear perturbation“footprint,regardless of whether the interplay was direct or indirect,revealing for the first time that the indirect interaction is not seamless and can be detected clearly at the molecular *** interplay stands for the non-contacting interaction interfaced by the water phase,indicating a metastable state with long-range interaction under non-shaking *** results reveal the crucial role of non-contacting interactions in determining the phase status of zwitterionic membranes.
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