Referenced in: none

Automatically associated channels: Kv11.1

Title: Predictive models for hERG potassium channel blockers.

Authors: Giovanni Cianchetta, Yi Li, Jiesheng Kang, David Rampe, Arnaldo Fravolini, Gabriele Cruciani, Roy J Vaz

Journal, date & volume: Bioorg. Med. Chem. Lett., 2005 Aug 1 , 15, 3637-42

PubMed link: http://www.ncbi.nlm.nih.gov/pubmed/15978804

Abstract
We report here a general method for the prediction of hERG potassium channel blockers using computational models generated from correlation analyses of a large dataset and pharmacophore-based GRIND descriptors. These 3D-QSAR models are compared favorably with other traditional and chemometric based HQSAR methods.