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• W2313305552 startingPage "6455" @default.
• W2313305552 abstract "Using molecular dynamics (MD) simulations, we studied the structure and dynamics of two dimyristoylphosphatidylcholine (DMPC):cholesterol bilayers at concentrations representative of the ocular lens (ratios of 1:1 and 1:2). These MD simulations agree well with experimental deuterium order parameters and bilayer peak-to-peak distances. Although it is known that the average surface area per lipid rapidly decreases from low to moderate levels of cholesterol, our simulations indicate that there is a relatively small change in the average lipid area from 50 to 66.7% cholesterol (40.5 ± 0.2 and 39.5 ± 0.1 Å(2)/lipid, respectively). Radial distribution functions for the hydroxyl group on cholesterol indicate the formation of cholesterol-only nanoscale domains for the membrane with 66.7% cholesterol but a uniform distribution of cholesterol and DMPC for the membrane with 50% cholesterol. These small domains form a single shell of hexagonally packed cholesterols that are interconnected in a web-like structure of cholesterol. Calculations of internal DMPC dynamics show that the relaxation times for carbon-hydrogen reorientation of choline decrease with an increase in cholesterol, but the main body (carbonyl-glycerol to C11) is independent of cholesterol concentration. MD simulations of the aquaporin 0 tetramer show stabilization in its interactions with lipid membranes containing cholesterol by forming ring-ring stacking between surface aromatic residues of the protein and the rings of cholesterol. Moreover, there is an increase in hydrogen bonds with longer lifetimes in a mixed bilayer of DMPC and cholesterol." @default.
• W2313305552 created "2016-06-24" @default.
• W2313305552 creator A5049807318 @default.
• W2313305552 creator A5067806190 @default.
• W2313305552 date "2011-05-03" @default.
• W2313305552 modified "2023-09-24" @default.
• W2313305552 title "Lipid Membranes with a Majority of Cholesterol: Applications to the Ocular Lens and Aquaporin 0" @default.
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• W2313305552 doi "https://doi.org/10.1021/jp108650u" @default.
• W2313305552 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21539340" @default.
• W2313305552 hasPublicationYear "2011" @default.
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