添加胆固醇后膜氧渗透性的预测降低
Predicted Decrease in Membrane Oxygen Permeability with Addition of Cholesterol.
作者信息
Angles Gary, Dotson Rachel, Bueche Kristina, Pias Sally C
机构信息
Department of Chemistry, New Mexico Institute of Mining and Technology (New Mexico Tech), 801 Leroy Place, Socorro, NM, 87801, USA.
出版信息
Adv Exp Med Biol. 2017;977:9-14. doi: 10.1007/978-3-319-55231-6_2.
Abstract
Aberrations in cholesterol homeostasis are associated with several diseases that can be linked to changes in cellular oxygen usage. Prior biological and physical studies have suggested that membrane cholesterol content can modulate oxygen delivery, but questions of magnitude and biological significance remain open for further investigation. Here, we use molecular dynamics simulations in a first step toward reexamining the rate impact of cholesterol on the permeation of oxygen through phospholipid bilayers. The simulation models are closely compared with published electron paramagnetic resonance (EPR) oximetry measurements. The simulations predict an oxygen permeability reduction due to cholesterol but also suggest that the EPR experiments may have underestimated resistance to oxygen permeation in the phospholipid headgroup region.
摘要
胆固醇稳态异常与多种疾病相关，这些疾病可能与细胞氧利用的变化有关。先前的生物学和物理学研究表明，膜胆固醇含量可调节氧输送，但关于其影响程度和生物学意义的问题仍有待进一步研究。在此，我们首先使用分子动力学模拟来重新审视胆固醇对氧通过磷脂双层渗透速率的影响。将模拟模型与已发表的电子顺磁共振（EPR）血氧测定法测量结果进行了密切比较。模拟结果预测胆固醇会降低氧渗透性，但也表明EPR实验可能低估了磷脂头部区域对氧渗透的阻力。
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2
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald.
J Chem Theory Comput. 2013 Sep 10;9(9):3878-88. doi: 10.1021/ct400314y. Epub 2013 Aug 20.
3
A Parameterization of Cholesterol for Mixed Lipid Bilayer Simulation within the Amber Lipid14 Force Field.
J Phys Chem B. 2015 Sep 24;119(38):12424-35. doi: 10.1021/acs.jpcb.5b04924. Epub 2015 Sep 11.
4
Lipid14: The Amber Lipid Force Field.
J Chem Theory Comput. 2014 Feb 11;10(2):865-879. doi: 10.1021/ct4010307. Epub 2014 Jan 30.
5
LIPID11: a modular framework for lipid simulations using amber.
J Phys Chem B. 2012 Sep 13;116(36):11124-36. doi: 10.1021/jp3059992. Epub 2012 Sep 4.
6
Large influence of cholesterol on solute partitioning into lipid membranes.
J Am Chem Soc. 2012 Mar 21;134(11):5351-61. doi: 10.1021/ja211929h. Epub 2012 Mar 12.
7
Using spin-label electron paramagnetic resonance (EPR) to discriminate and characterize the cholesterol bilayer domain.
Chem Phys Lipids. 2011 Nov;164(8):819-29. doi: 10.1016/j.chemphyslip.2011.08.001. Epub 2011 Aug 9.
8
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9
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The bilayer melting transition in lung surfactant bilayers: the role of cholesterol.
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