Molecular modeling of the reactive configuration of peroxidized lipid and α-tocopherol in the membrane
- 36 Downloads
The mutual arrangement of a phospholipid molecule containing a peroxyl radical and a molecule of membrane-acting antioxidant α-tocopherol (vitamin E) in the lipid bilayer has been studied by molecular dynamics simulation. The geometry of molecules in the membrane is revealed at which the hydrogen atom can be transferred from the exocyclic hydroxyl of α-tocopherol to the peroxyl lipid radical. It is shown that, under equilibrium conditions, the peroxidized fatty acid segment rises nearer to the polar surface of the membrane, while α-tocopherol submerges into the hydrophobic part of the lipid bilayer.
Key wordsmolecular modeling lipid peroxidation α-tocopherol peroxyl radical antioxidant membrane
- 1.D. Pratico, Sci. Aging Knowledge Environ. 2002(50), re5 (2002).Google Scholar
- 8.D. V. Zlenko and P. M. Krasilnikov, Vestn. MGU Ser. Fiz. Astron. 63, 405 (2008).Google Scholar
- 10.S. Nigam and T. Schewe, Biochim. Biophys. Acta 1488, 167 (2000).Google Scholar
- 11.Y. T. Timusheva, O. A. Mareninova, O. N. Vagina, et al., Membr. Cell Biol. 12, 41 (1998).Google Scholar