Elastic moduli of normal and cancer cell membranes revealed by molecular dynamics simulations.
Elastic moduli of normal and cancer cell membranes revealed by molecular dynamics simulations.
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DOI：
10.1039/d1cp04836h
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发表时间：
2022-03-09
期刊：
影响因子：
--
通讯作者：
Nguyen PH
中科院分区：
文献类型：
--
作者：
Nguyen HL;Man VH;Li MS;Derreumaux P;Wang J;Nguyen PH
最近的研究表明，正常细胞和癌细胞之间存在机械上的差异。因为细胞膜参与了各种生命过程，我们测试了细胞膜的两个基本变化，即外层小叶中磷脂酰丝氨酸脂的过度表达和胆固醇浓度的降低，是否会导致癌细胞的软化。采用10种正常细胞膜和癌细胞膜模型，进行了1μS全原子分子动力学模拟，比较了两种膜的结构性质和弹性性质。我们发现，外叶中磷脂酰丝氨酸脂的过度表达对癌膜的每脂面积、膜厚度、脂序参数和弹性模数没有显著影响。然而，胆固醇浓度的降低会导致这些量的明显变化，特别是弯曲、倾斜和扭转模数的下降。这意味着癌细胞膜中胆固醇浓度的降低可能有助于癌细胞的软化。
Recent studies indicate that there are mechanical differences between normal cells and cancer cells. Because the cell membrane takes part in a variety of vital processes, we test the hypothesis of whether or not two fundamental alterations in the cell membrane, i.e., the overexpression of phosphatidylserine lipids in the outer leaflet and a reduction in cholesterol concentration, could cause the softening in cancer cells. Adopting ten models of normal and cancer cell membranes, we carry out 1 μs all-atom molecular dynamics simulations to compare the structural properties and elasticity properties of two membrane types. We find that the overexpression of the phosphatidylserine lipids in the outer leaflet does not significantly alter the area per lipid, the membrane thickness, the lipid order parameters and the elasticity moduli of the cancer membranes. However, a reduction in the cholesterol concentration leads to clear changes in those quantities, especially decreases in the bending, tilt and twist moduli. This implies that the reduction of cholesterol concentration in the cancer membranes could contribute to the softening of cancer cells.
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DOI：
10.1039/c7cp01921a
发表时间：
2017-06-28
期刊：
Physical chemistry chemical physics : PCCP
影响因子：
--
作者：
Doktorova M;Harries D;Khelashvili G
通讯作者：
Khelashvili G
影响因子：
3.5
作者：
Gapsys, Vytautas;de Groot, Bert L.;Briones, Rodolfo
通讯作者：
Briones, Rodolfo
DOI：
10.1073/pnas.88.9.3792
发表时间：
1991-05-01
影响因子：
11.1
作者：
CRUCIANI, RA;BARKER, JL;COLAMONICI, O
通讯作者：
COLAMONICI, O
影响因子：
2.3
作者：
Allolio, Christoph;Haluts, Amir;Harries, Daniel
通讯作者：
Harries, Daniel
影响因子：
3.4
作者：
Bhide, Shreyas Y.;Zhang, Zhancheng;Berkowitz, Max L.
通讯作者：
Berkowitz, Max L.