Starke Leonhard J, Allolio Christoph, Hub Jochen S
Theoretical Physics and Center for Biophysics, Saarland University, 66123 Saarbrücken, Germany.
Faculty of Mathematics and Physics, Charles University, 121 16 Prague, Czech Republic.
PNAS Nexus. 2025 Feb 21;4(3):pgaf033. doi: 10.1093/pnasnexus/pgaf033. eCollection 2025 Mar.
The primary function of biological membranes is to enable compartmentalization among cells and organelles. Loss of integrity by the formation of membrane pores would trigger uncontrolled depolarization or influx of toxic compounds, posing a fatal threat to living cells. How the lipid complexity of biological membranes enables mechanical stability against pore formation while, simultaneously, allowing for ongoing membrane remodeling is largely enigmatic. We performed molecular dynamics simulations of eight complex lipid membranes including the plasma membrane and membranes of the organelles endoplasmic reticulum, Golgi, lysosome, and mitochondrion. To quantify the mechanical stability of these membranes, we computed the free energy of transmembrane pore nucleation as well as the line tension of the rim of open pores. Our simulations reveal that complex biological membranes are remarkably stable, however, with the plasma membrane standing out as exceptionally stable, which aligns with its crucial role as a protective layer. We observe that sterol content is a key regulator for biomembrane stability, and that lateral sorting among lipid mixtures influences the energetics of membrane pores. A comparison of 25 model membranes with varying sterol content, tail length, tail saturation, and head group type shows that the pore nucleation free energy is mostly associated with the lipid tilt modulus, whereas the line tension along the pore rim is determined by the lipid intrinsic curvature. Together, our study provides an atomistic and energetic view on the role of lipid complexity in biomembrane stability.
生物膜的主要功能是实现细胞和细胞器之间的区室化。膜孔形成导致的完整性丧失会引发不受控制的去极化或有毒化合物的流入,对活细胞构成致命威胁。生物膜的脂质复杂性如何在实现对膜孔形成的机械稳定性的同时,又允许进行持续的膜重塑,这在很大程度上仍是个谜。我们对包括质膜以及内质网、高尔基体、溶酶体和线粒体等细胞器膜在内的八种复杂脂质膜进行了分子动力学模拟。为了量化这些膜的机械稳定性,我们计算了跨膜孔成核的自由能以及开放孔边缘的线张力。我们的模拟结果表明,复杂的生物膜非常稳定,然而,质膜表现出异常稳定,这与其作为保护层的关键作用相符。我们观察到甾醇含量是生物膜稳定性的关键调节因子,并且脂质混合物之间的侧向分选会影响膜孔的能量学。对25种具有不同甾醇含量、尾部长度、尾部饱和度和头部基团类型的模型膜进行比较表明,孔成核自由能主要与脂质倾斜模量相关,而沿孔边缘的线张力则由脂质固有曲率决定。总之,我们的研究提供了一个关于脂质复杂性在生物膜稳定性中作用的原子尺度和能量学视角。