Journal
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
Volume 1858, Issue 9, Pages 2191-2198Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.bbamem.2016.06.018
Keywords
Cholesterol; Hydroperoxide; Lipid bilayer; Molecular dynamics simulation; Oxidative stress; Oxysterol
Categories
Funding
- National Counsel of Technological and Scientific Development (CNPq) [459270/2014-1]
- Sao Paulo Research Foundation (FAPESP) [2012/50680-5]
- Universidade Federal do ABC
- Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [12/50680-5] Funding Source: FAPESP
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Non-enzymatic lipid peroxidation may change biomembrane structure and function. Here, we employed molecular dynamics simulations to study the effects of either phospholipid or cholesterol peroxidation individually, as well as the combined peroxidation of both components. When lipids were peroxidized, the generated -OOH groups migrated to the membrane surface and engaged in H-bonds with each other and the phospholipid carbonyl ester groups. It caused the sn-2 acyl chains of phospholipid hydroperoxides to bend and the whole sterol backbone of cholesterol hydroperoxides to tilt. When phospholipids were kept intact, peroxidation of the sterol backbone led to a partial degradation of its condensing and ordering properties, independently of the position and isomerism of the -OOH substitution. However, even in massively peroxidized membranes in which all phospholipids and cholesterol were peroxidized, the condensing and ordering properties of the sterol backbone were still significant. The possible implications for the formation of membrane lateral domains were discussed. Cholesterol peroxyl radicals were also investigated and we found that the -OO center dot groups did not migrate to the headgroups region. (C) 2016 Elsevier B.V. All rights reserved.
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