Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury : An All-Atom Molecular Dynamics Study

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Owen , M C , Kulig , W , Rog , T , Vattulainen , I & Strodel , B 2018 , ' Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury : An All-Atom Molecular Dynamics Study ' , Journal of Membrane Biology , vol. 251 , no. 3 , pp. 521-534 . https://doi.org/10.1007/s00232-018-0028-9

Title: Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury : An All-Atom Molecular Dynamics Study
Author: Owen, Michael C.; Kulig, Waldemar; Rog, Tomasz; Vattulainen, Ilpo; Strodel, Birgit
Contributor: University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
Date: 2018-06
Language: eng
Number of pages: 14
Belongs to series: Journal of Membrane Biology
ISSN: 0022-2631
URI: http://hdl.handle.net/10138/307513
Abstract: In an effort to delineate how cholesterol protects membrane structure under oxidative stress conditions, we monitored the changes to the structure of lipid bilayers comprising 30 mol% cholesterol and an increasing concentration of Class B oxidized 1-palmitoyl-2-oleoylphosphatidylcholine (POPC) glycerophospholipids, namely, 1-palmitoyl-2-(9'-oxo-nonanoyl)-sn-glycero-3-phosphocholine (PoxnoPC), and 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine (PazePC), using atomistic molecular dynamics simulations. Increasing the content of oxidized phospholipids (oxPLs) from 0 to 60 mol% oxPL resulted in a characteristic reduction in bilayer thickness and increase in area per lipid, thereby increasing the exposure of the membrane hydrophobic region to water. However, cholesterol was observed to help reduce water injury by moving into the bilayer core and forming more hydrogen bonds with the oxPLs. Cholesterol also resists altering its tilt angle, helping to maintain membrane integrity. Water that enters the 1-nm-thick core region remains part of the bulk water on either side of the bilayer, with relatively few water molecules able to traverse through the bilayer. In cholesterol-rich membranes, the bilayer does not form pores at concentrations of 60 mol% oxPL as was shown in previous simulations in the absence of cholesterol.
Subject: Lipid oxidation
Cholesterol protection
Oxidative stress
Oxidized membranes
Pore formation
OXIDATIVELY MODIFIED PHOSPHOLIPIDS
ACYL-CHAIN REVERSAL
FORCE-FIELD
SIMULATIONS
FLUORESCENCE
MEMBRANES
EPR
1182 Biochemistry, cell and molecular biology
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