Referenced in: none

Automatically associated channels: Kv11.1 , Slo1

Title: In silico prediction of hERG inhibition.

Authors: Yankang Jing, Alison Easter, David Peters, Norman Kim, Istvan J Enyedy

Journal, date & volume: Future Med Chem, 2015 , 7, 571-86

PubMed link: http://www.ncbi.nlm.nih.gov/pubmed/25921399

Abstract
The voltage-gated potassium channel encoded by hERG carries a delayed rectifying potassium current (IKr) underlying repolarization of the cardiac action potential. Pharmacological blockade of the hERG channel results in slowed repolarization and therefore prolongation of action potential duration and an increase in the QT interval as measured on an electrocardiogram. Those are possible to cause sudden death, leading to the withdrawals of many drugs, which is the reason for hERG screening. Computational in silico prediction models provide a rapid, economic way to screen compounds during early drug discovery. In this review, hERG prediction models are classified as 2D and 3D quantitative structure-activity relationship models, pharmacophore models, classification models, and structure based models (using homology models of hERG).