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

Abstract

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 (Aβ 17-42 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.