Journal
JOURNAL OF LIPID RESEARCH
Volume 51, Issue 5, Pages 1113-1124Publisher
ELSEVIER
DOI: 10.1194/jlr.M003012
Keywords
fatty acid; molecular dynamics simulation; phosphoethanolamine membrane
Categories
Funding
- Deutsches Elektronen-Synchrotron DESY [II-05-051EC]
- European Commission [HPRI-CT-2001-00140]
- Spanish Plan Nacional de Investigacion Cientifica, Desarrollo e Innovacion Tecnologica, Instituto de Salud Carlos III-Fondo de Investigacion Sanitaria [PI051340]
- Conselleria d'Economia, Hisenda i Innovacio de les Illes Balears [AAEE0024/08]
- FEDER (Ministerio de Educacion y Cultura, Spain) [BFU2007-61071/BCM]
- Spanish Ministry of Science and Technology [SAF2008-04943-C02-01]
- Spanish I3 Program
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An experimental and theoretical study on 1,2-dielaidoyl-sn-glycero-3-phosphoethanolamine (DEPE) membranes containing fatty acids (FAs) was performed by means of X-ray diffraction analysis and molecular dynamics (MD) simulations. The study was aimed at understanding the interactions of several structurally related FAs with biomembranes, which is necessary for further rational lipid drug design in membrane-lipid therapy. The main effect of FAs was to promote the formation of a H-II phase, despite a stabilization of the coexisting L-alpha + H-II phases. Derivatives of OA exhibited a specific density profile in the direction perpendicular to the bilayer that reflects differences in the relative localization of the carboxylate group within the polar region of the membrane as well as in the degree of membrane penetration of the FA acyl chain. Hydroxyl and methyl substituents at carbon-2 in the FA acyl chain were identified as effective modulators of the position of carboxylate group in the lipid bilayer. Our data highlight the specific potential of each FA in modulating the membrane structure properties.-Cordomi, A., J. Prades, J. Frau, O. Vogler, S. S. Funari, J. J. Perez, P. V. Escriba, and F. Barcelo. Interactions of fatty acids with phosphatidylethanolamine membranes: X-ray diffraction and molecular dynamics studies. J. Lipid Res. 2010. 51: 1113-1124.
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