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PMID: 11259280 Published · ppublish English Journal Article Research Support, U.S. Gov't, Non-P.H.S.

Molecular dynamics simulation of the structure of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol.

Biophysical journal ·Vol. 80 ·No. 4 ·2001-04-00 ·Pages 1649-58

Smondyrev AM, Berkowitz ML

Abstract

Five molecular dynamics computer simulations were performed on different phospholipid:sterol membrane systems in order to study the influence of sterol structure on membrane properties. Three of these simulated bilayer systems were composed of a 1:8 sterol:phospholipid ratio, each of which employed one of the sterol molecules: cholesterol, ergosterol, and lanosterol. The two other simulations were of a bilayer with a 1:1 sterol:phospholipid ratio. These simulations employed cholesterol and lanosterol, respectively, as their sterol components. The observed differences in simulations with cholesterol and lanosterol may have their implication on the form of the phospholipid/sterol phase diagram.

MeSH Terms
Carbon/chemistry Cholesterol/chemistry Computer Simulation Dimyristoylphosphatidylcholine/chemistry Ergosterol/chemistry Hydrogen Bonding Lanosterol/chemistry Lipid Bilayers/chemistry Magnetic Resonance Spectroscopy Time Factors
Chemicals
Lipid Bilayers Lanosterol Carbon Cholesterol Dimyristoylphosphatidylcholine Ergosterol
Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Smondyrev A M
Department of Chemistry, University of North Carolina at Chapel Hill, 27599 USA.
Berkowitz M L
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Article Info
Journal
Biophysical journal
Abbr.
Biophys J
ISSN
0006-3495
DOI
10.1016/S0006-3495(01)76137-1
Published
2001-04-00
Pages
1649-58
Language
English
Region
United States
NLM ID
0370626
PMCID
PMC1301356
Subset
IM
External Links
PubMed source DOI: 10.1016/S0006-3495(01)76137-1 PMC Full Text View journal details
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