Molecular Modelling of the Reactive Configuration of Peroxidised Lipid and Alfa-Tocopherol in the Membrane

The mutual arrangement of a phospholipid containing a peroxyl radical and the membrane antioxidant alpha-tocopherol (vitamin E) in the lipid bilayer has been studied using the method of molecular dynamics. The equilibrium states of the oxidized lipid and alpha-tocopherol in the membrane have been investigated. The mutual geometry of molecules in the membrane is revealed at which the hydrogen atom can be transferred from the hydroxyl group of alpha-tocopherol to the peroxyl radical of phospholipids. It is shown that, in equilibrium conditions, the peroxyl group of the oxidized lipid is located near the polar surface of the membrane, and alpha-tocopherol is embedded in the hydrophobic area of the lipid bilayer.

Novikova, P.Y., Krasilnikov, P.M. (2009) Molecular Modelling of the Reactive Configuration of Peroxidised Lipid and Alfa-Tocopherol in the Membrane. Cell Biophysics 54(4):476–80.

• 
• abstract
• 
• PMID
• 
• doi
•