title: Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in the membrane.
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.
authors: a Institute for Theoretical Chemistry , University of Vienna , Vienna , Austria.
authors: Chonticha
authors: C
authors: Suwattanasophon
authors: a Institute for Theoretical Chemistry , University of Vienna , Vienna , Austria.
authors: Peter
authors: P
authors: Wolschann
authors: b Department of Chemical Engineering and Materials Science , University of California , One Shields Ave, Davis , CA 95616 , USA.
authors: Roland
authors: R
authors: Faller
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry / Q000378:metabolism*; D002462:Cell Membrane / Q000378:metabolism*; D002784:Cholesterol / Q000737:chemistry / Q000378:metabolism*; D008051:Lipid Bilayers / Q000378:metabolism; D008560:Membrane Fluidity; D056004:Molecular Dynamics Simulation; D010713:Phosphatidylcholines / Q000737:chemistry / Q000378:metabolism*; D015222:Sodium Channels / Q000737:chemistry / Q000378:metabolism*
chemical_list: D001426:Bacterial Proteins; D008051:Lipid Bilayers; D010713:Phosphatidylcholines; D015222:Sodium Channels; D002784:Cholesterol; C028694:1-palmitoyl-2-oleoylphosphatidylcholine
keywords: NavAb; cholesterol; membrane composition; sodium channel