Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel.

@article{Ekins2002ThreedimensionalQS,
  title={Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel.},
  author={Sean Ekins and William J. Crumb and R. Dustan Sarazan and James H. Wikel and Steven A. Wrighton},
  journal={The Journal of pharmacology and experimental therapeutics},
  year={2002},
  volume={301 2},
  pages={427-34}
}
The protein product of the human ether-a-go-go gene (hERG) is a potassium channel that when inhibited by some drugs may lead to cardiac arrhythmia. Previously, a three-dimensional quantitative structure-activity relationship (3D-QSAR) pharmacophore model was constructed using Catalyst with in vitro inhibition data for antipsychotic agents. The rationale of the current study was to use a combination of in vitro and in silico technologies to further test the pharmacophore model and qualitatively… CONTINUE READING

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Mechanism of cocaine block of HERG potassium channels

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