Geometrical effects of phospholipid olefinic bonds on the structure and dynamics of membranes: A molecular dynamics study

Biochimica Et Biophysica Acta
Hui-Hsu Gavin TsaiChih-Chiang Chiu

Abstract

The trans isomers of fatty acids are found in human adipose tissue. These isomers have been linked with deleterious health effects (e.g., coronary artery disease). In this study, we performed molecular dynamics simulations to investigate the structures and dynamic properties of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC) and 1-palmitoyl-2-elaidoyl sn-glycero-3-phosphatidylcholine (PEPC) lipid bilayers. The geometry of the olefinic bond and membrane packing effects significantly influenced the conformations and dynamics of the two C-C single bonds adjacent to the olefinic bond. For the PEPC lipid, the two C-C single bonds adjacent to the olefinic bond adopted mainly nonplanar skew-trans and planar cis-trans motifs; although the cis conformation featured relatively strong steric repulsion, it was stabilized through membrane packing because its planar structure is more suitable for membrane packing. Moreover, membrane packing effects stabilized the planar transition state for conformational conversion to a greater extent than they did with the nonplanar transition state, thereby affecting the dynamics of conformational conversion. The rotational motions of the first neighboring C-C single bonds were much faster th...Continue Reading

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Citations

Feb 5, 2016·The Journal of Membrane Biology·Vicente Galiano, José Villalaín
Jan 15, 2016·Biochimica Et Biophysica Acta·Alexander P Lyubartsev, Alexander L Rabinovich
Aug 19, 2015·Biochimica Et Biophysica Acta·Vicente Galiano, José Villalaín
Aug 30, 2016·Journal of Biomolecular Structure & Dynamics·Emmanuel Fajardo-SánchezJosé Villalaín
Jan 23, 2020·The Journal of Membrane Biology·Vicente GalianoJosé Villalaín
Apr 16, 2021·Angewandte Chemie·Vusala IbrahimovaSébastien Lecommandoux
Oct 10, 2021·Communications Biology·Masaaki Uematsu, Takao Shimizu
Jul 30, 2020·Biochimica Et Biophysica Acta. Biomembranes·Vicente Galiano, José Villalaín

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