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A 3D pharmacophore model of hERG blockers was developed to help understand blockade mechanisms and avoid cardiotoxicity in drug development.
In this paper a three-dimensional cardiotoxic model was developed from hERG blockers. The best hypothesis (Hypol) was defined by four features. The carditotoxic model would be very helpful in understanding the blockade mechanism of hERG potassium channel and in providing insights into avoiding unnecessary cardiotoxic effect in drug development.
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WANG et al. (2008) studied this question.
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