Referenced in: none

Automatically associated channels: Kv11.1

Title: Tuning out of hERG.

Authors: Alex M Aronov

Journal, date & volume: , 2008 Jan , 11, 128-40

PubMed link: http://www.ncbi.nlm.nih.gov/pubmed/18175275

Abstract
A number of drug withdrawals in recent years have been related to cardiovascular toxicity associated with undesirable blockade of the hERG potassium channel. A promiscuous target, hERG has been demonstrated to interact with pharmaceuticals of widely varying structure. Computational and statistical modeling efforts encompassing homology modeling, pharmacophore and quantitative structure-activity relationship models, and also various classification methods, are aimed at defining the molecular features that confer hERG inhibitory activity and understanding the structure-activity relationships that govern hERG-drug interactions. The organization-wide adoption of hERG models is driven by their ability to produce specific and testable structural hypotheses that lead to compounds devoid of hERG liability.