关键词: Lipid aldehydes Membrane permeability Molecular dynamics simulations Phase-separated membranes

Mesh : Aldehydes / chemistry Cell Membrane Cell Membrane Permeability Lipids / chemistry Molecular Conformation Molecular Dynamics Simulation Phase Transition

来  源:   DOI:10.1016/j.abb.2022.109136

Abstract:
It is well established that lipid aldehydes (LAs) are able to increase the permeability of cell membranes and induce their rupture. However, it is not yet clear how LAs are distributed in phase-separated membranes (PSMs), which are responsible for the transport of selected molecules and intracellular signaling. Thus, we investigate here the distribution of LAs in a PSM by coarse-grained molecular dynamics simulations. Our results reveal that LAs derived from mono-unsaturated lipids tend to accumulate at the interface between the liquid-ordered/liquid-disordered domains, whereas those derived from poly-unsaturated lipids remain in the liquid-disordered domain. These results are important for understanding the effects caused by oxidized lipids in membrane structure, properties and organization.
摘要:
众所周知,脂质醛(LA)能够增加细胞膜的通透性并诱导其破裂。然而,目前尚不清楚LA是如何在相分离膜(PSM)中分布的,它们负责所选分子的运输和细胞内信号传导。因此,我们在这里通过粗粒分子动力学模拟研究了PSM中LA的分布。我们的结果表明,源自单不饱和脂质的LA倾向于在液体有序/液体无序域之间的界面处积累,而来自多不饱和脂质的那些保留在液体无序域中。这些结果对于理解氧化脂质在膜结构中的作用是重要的。属性和组织。
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