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钾通道中的离子与阻滞剂:自由能模拟的见解

Ions and blockers in potassium channels: insights from free energy simulations.

作者信息

Luzhkov V B, Aqvist J

机构信息

Department of Cell and Molecular Biology, Uppsala University, BMC, Box 596, S-751 24 Uppsala, Sweden.

出版信息

Biochim Biophys Acta. 2005 Feb 14;1747(1):109-20. doi: 10.1016/j.bbapap.2004.10.006. Epub 2004 Oct 26.

DOI:10.1016/j.bbapap.2004.10.006
PMID:15680245
Abstract

Potassium ion channels enable efficient and selective permeation of K+ ions across nonpolar biological membranes. Here we review the results of recent free energy calculations related to the permeation of monovalent cations through K+ channels and to the channel inhibition by blocker compounds. In particular, the progress in computational studies of the bacterial KcsA channel is discussed.

摘要

钾离子通道能够使钾离子高效且选择性地透过非极性生物膜。在此,我们综述了近期与单价阳离子通过钾离子通道的渗透以及通道被阻滞剂化合物抑制相关的自由能计算结果。特别讨论了细菌KcsA通道计算研究的进展。

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Ions and blockers in potassium channels: insights from free energy simulations.钾通道中的离子与阻滞剂:自由能模拟的见解
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