Biophysics

, 54:476 | Cite as

Molecular modeling of the reactive configuration of peroxidized lipid and α-tocopherol in the membrane

Cell Biophysics

Abstract

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 words

molecular modeling lipid peroxidation α-tocopherol peroxyl radical antioxidant membrane 

Abbreviations

MD

molecular dynamics

PLoo

peroxidized phospholipid

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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  1. 1.Biological FacultyMoscow State UniversityMoscowRussia

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