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

V B Luzhkov; J Aqvist

doi:10.1016/j.bbapap.2004.10.006

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

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

Authors

V B Luzhkov¹, J Aqvist

Affiliation

¹ Department of Cell and Molecular Biology, Uppsala University, BMC, Box 596, S-751 24 Uppsala, Sweden.

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

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.

Publication types

Research Support, Non-U.S. Gov't
Review

MeSH terms

Cations, Monovalent / metabolism
Computer Simulation
Entropy
Models, Molecular
Potassium / metabolism*
Potassium Channel Blockers / pharmacology*
Potassium Channels / chemistry
Potassium Channels / drug effects
Potassium Channels / physiology*
Protein Structure, Quaternary

Substances

Cations, Monovalent
Potassium Channel Blockers
Potassium Channels
Potassium