The inner cavity of the hERG potassium ion channel can accommodate large, structurally diverse compounds that can be trapped in the channel by closure of the activation gate. A small set of propafenone derivatives was synthesized, and both use-dependency and recovery from block were tested in order to gain insight into the behavior of these compounds with respect to trapping and non-trapping. Ligand-protein docking into homology models of the closed and open state of the hERG channel provides the first evidence for the molecular basis of drug trapping. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA.
CITATION STYLE
Thai, K. M., Windisch, A., Stork, D., Weinzinger, A., Schiesaro, A., Guy, R. H., … Ecker, G. F. (2010). The hERG potassium channel and drug trapping: Insight from docking studies with propafenone derivatives. ChemMedChem, 5(3), 436–442. https://doi.org/10.1002/cmdc.200900374
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