Phosphatidylserine flip‐flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling

We perform molecular dynamics simulations to study the flip‐flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip‐flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic‐scale insight into the mechanisms of the PS flip‐flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells.

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