Lipid flip-flop and desorption from supported lipid bilayers is independent of curvature.
Lipid flip-flop and desorption from supported lipid bilayers is independent of curvature.
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DOI：
10.1371/journal.pone.0244460
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发表时间：
2020
期刊：
影响因子：
3.7
通讯作者：
Das S
中科院分区：
文献类型：
--
作者：
Jing H;Wang Y;Desai PR;Ramamurthi KS;Das S
构成质膜（PM）的脂质双层（LBL）的脂质的翻转在从细胞信号传导和细胞形状调节到细胞稳态、膜不对称性、吞噬作用和细胞凋亡的无数事件中起关键作用。虽然已经进行了广泛的研究来探测平面脂质双层（LBL）的脂质翻转，但是对于高度弯曲的纳米级LBL系统的脂质翻转知之甚少，尽管膜曲率在定义细胞和细胞器的形态以及在维持各种细胞功能、使能运输以及募集和定位形状响应蛋白中具有巨大的重要性。在本文中，我们进行分子动力学（MD）模拟研究的能量，结构和配置的脂质分子经历触发器和解吸在一个高度弯曲的LBL，表示为纳米粒子支持的脂质双层（NPSLBL）系统。我们比较我们的研究结果对那些平面基板支持的脂质双层（PSSLBL）。我们的MD模拟结果表明，尽管曲率和其他曲率决定的性质（例如，脂质包装分数、内外小叶之间脂质数量的差异等）在NPSLBL和PSSLBL之间，对于NPSLBL和PSSLBL，脂质翻转和脂质解吸的能量学以及经历脂质翻转的脂质分子的构型非常相似。换句话说，我们的研究结果表明，LBL的曲率在脂质翻转和解吸中起着微不足道的作用。
Flip-flop of lipids of the lipid bilayer (LBL) constituting the plasma membrane (PM) plays a crucial role in a myriad of events ranging from cellular signaling and regulation of cell shapes to cell homeostasis, membrane asymmetry, phagocytosis, and cell apoptosis. While extensive research has been conducted to probe the lipid flip flop of planar lipid bilayers (LBLs), less is known regarding lipid flip-flop for highly curved, nanoscopic LBL systems despite the vast importance of membrane curvature in defining the morphology of cells and organelles and in maintaining a variety of cellular functions, enabling trafficking, and recruiting and localizing shape-responsive proteins. In this paper, we conduct molecular dynamics (MD) simulations to study the energetics, structure, and configuration of a lipid molecule undergoing flip-flop and desorption in a highly curved LBL, represented as a nanoparticle-supported lipid bilayer (NPSLBL) system. We compare our findings against those of a planar substrate supported lipid bilayer (PSSLBL). Our MD simulation results reveal that despite the vast differences in the curvature and other curvature-dictated properties (e.g., lipid packing fraction, difference in the number of lipids between inner and outer leaflets, etc.) between the NPSLBL and the PSSLBL, the energetics of lipid flip-flop and lipid desorption as well as the configuration of the lipid molecule undergoing lipid flip-flop are very similar for the NPSLBL and the PSSLBL. In other words, our results establish that the curvature of the LBL plays an insignificant role in lipid flip-flop and desorption.
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