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Molecular dynamics study on the effect of lipid membrane mechanical properties on the interaction between β-amyloid and lipid membrane

机译:脂膜力学性能对β-淀粉样膜与脂质膜相互作用影响的分子动力学研究

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Cholesterol in lipid membranes plays an important role in the pathogenesis of Alzheimer’s disease. However, the exact mechanism of cholesterol in the effect on the interaction between Aβ and lipid membranes still remains elusive. Previous experiments and simulations research are also full of contradictions. The addition of cholesterol to the lipid membrane will cause changes in the stiffness and elasticity of the membrane, and the changes in the mechanical properties of the membrane may affect the interaction between amyloid and the lipid membrane. Therefore, in this study, we have carried out MD simulations to research the interaction between p3 peptide (Aβ17-42 pentamers) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) membrane. We adjust the membrane mechanical properties by changing the potential of lipid atoms, thereby discuss the influence of the mechanical properties of the lipid membrane on the interaction between them. Simulation results show that the when the membrane mechanical property is in some range, p3 peptide could insert into the membrane while out of this range, p3 peptide could only deposited on the membrane surface, resulting in different degrees of membrane damage. This study indicates that the cell membrane may be the reason for the Aβ peptide attacking the cell membrane. Improving the cell membrane property may prevent the toxic effect of Aβ peptide.
机译:脂质膜中的胆固醇在阿尔茨海默病的发病机制中起着重要作用。然而,胆固醇对Aβ和脂质膜之间的相互作用影响的确切机制仍然是难以捉摸的。以前的实验和模拟研究也充满了矛盾。向脂质膜中加入胆固醇将导致膜的刚度和弹性的变化,并且膜的机械性能的变化可能影响淀粉样蛋白和脂膜之间的相互作用。因此,在本研究中,我们已经进行了MD模拟,以研究P3肽之间的相互作用(Aβ 17-42 五聚体积)和1-palmItoyl-2-Oleyl-Sn-甘油-3-磷乙醇胺(POPE)膜。通过改变脂质原子的电位,我们调节膜机械性能,从而探讨了脂膜的力学性能对它们之间相互作用的影响。仿真结果表明,当膜力学性质在某种程度上时,P3肽可​​以插入膜中,同时从该范围内插入膜中,P3肽只能沉积在膜表面上,导致不同程度的膜损伤。该研究表明,细胞膜可能是攻击细胞膜的Aβ肽的原因。改善细胞膜性能可以防止Aβ肽的毒性作用。

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