Background Drugs that bind to the human Ether-a-go-go Related Gene (hERG) potassium channel and block its ion conduction can lead to Torsade de Pointes (TdP), a fatal ventricular arrhythmia. Thus, compounds are screened for hERG inhibition in the drug development process; those found to be active face a difficult road to approval. Knowing which structural transformations reduce hERG binding would be helpful in the lead optimization phase of drug discovery.
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机译：背景绑定至人类以太相关基因（hERG）钾离子通道并阻断其离子传导的药物可导致致命性室性心律失常，从而导致尖端扭转型室速（TsP de Pointes，TdP）。因此，在药物开发过程中筛选了抑制hERG的化合物。被发现活跃的人面临艰难的批准之路。知道哪些结构转化减少了hERG结合将有助于药物发现的前导优化阶段。
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