Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in the membrane

Journal of Biomolecular Structure & Dynamics
Chonticha SuwattanasophonRoland Faller

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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Citations

Feb 20, 2020·Journal of Biomolecular Structure & Dynamics·Surendra KumarDharmendra K Yadav
Feb 20, 2020·Journal of Biomolecular Structure & Dynamics·Dharmendra Kumar YadavMi-Hyun Kim
Apr 5, 2020·Biochimica Et Biophysica Acta. Molecular and Cell Biology of Lipids·Florina ZakanyZoltan Varga
Feb 14, 2019·Chemical Reviews·Valentina CorradiD Peter Tieleman

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