Prediction of hERG Channel Inhibition Using In Silico Techniques

Drug-induced long QT syndrome still represents a major risk for late-stage clinical failure of drug candidates. One of the main factors inducing long QT is inhibition of cardiac hERG channels. Early prediction of potential hERG inhibitory activity of hits and lead compounds thus is of major importance in the drug discovery and development process. Both structure- and ligand-based approaches were used to develop models, which shed light on the molecular basis of hERG channel inhibition. In this article, an overview on recent approaches for prediction of hERG channel blockers has been provided.