Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in the membrane. Issue 2 (1st February 2016)

• Record Type: Journal Article
• Authors: Suwattanasophon, Chonticha; Wolschann, Peter; Faller, Roland
• Is Part Of: Journal of biomolecular structure & dynamics. Volume 34:Issue 2(2016)
• Page Start: 318
• Page End: 326
• Publication Date: 2016-02-01
• Subjects: NavAb -- sodium channel -- cholesterol -- membrane composition; Biomolecules -- Periodicals; Molecular structure -- Periodicals; Molecular Biology -- Periodicals; Biomechanics -- Periodicals; 572
• DOI: 10.1080/07391102.2015.1030691
• Languages: English
• ISSNs: 0739-1102

Abstract

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 Na v Ab 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 Na v Ab channels by membrane cholesterol.