Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in
Chonticha Suwattanasophon1, Peter Wolschann1, Roland Faller2
1a Institute for Theoretical Chemistry , University of Vienna , Vienna , Austria.
Abstract:
Increased cholesterol levels are associated with multiple pathological conditions. In this work, molecular dynamics simulations were applied to observe the influence of membrane cholesterol levels on a voltage-gated sodium channel. Different lipid compositions are modeled around the channel to obtain information about the possible effects by which cholesterol influences NavAb channels. Cholesterol was normally not directly interacting with either the closed or inactivated conformation. Cholesterol increased lipid packing implying that it plays a crucial role in restricting lipid movement in the region around 1 nm of the channel in a 1-palmitoyl-2-oeleoyl phosphatidylcholine matrix. Our results provide the first computational indication of an indirect modulation of NavAb channels by membrane cholesterol.
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