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- W4292210102 abstract "Abstract Inhibition of the human ether‐à‐go‐go‐related gene (hERG) ion channel may lead to prolonged QT interval and even fatal ventricular arrhythmia. Therefore, evaluating the hERG liability has become a mandatory requirement for drug development and drug safety process. However, standard experimental assays are complex, expensive and time‐consuming. Various in silico tools have been developed to identify potential hERG blockers and reduce in advance the risk of cardiotoxicity‐related attritions during the early drug discovery phase. In this review, we first outlined the structure and gating properties of the hERG channel briefly. Then analyzed the advantages of computational technology, and comprehensively summarized the in silico methods of hERG‐related cardiotoxicity, including ligand‐based and structure‐based methods. Additionally, the current predictive models in prediction of hERG blockage were emphatically reviewed. Finally, issues involved in the current computational methods, as well as the future direction for developing reliable models of hERG channel blockers, are discussed." @default.
- W4292210102 created "2022-08-18" @default.
- W4292210102 creator A5005847066 @default.
- W4292210102 creator A5006707718 @default.
- W4292210102 creator A5019415245 @default.
- W4292210102 creator A5031433954 @default.
- W4292210102 date "2022-08-18" @default.
- W4292210102 modified "2023-10-16" @default.
- W4292210102 title "A Review of Computational Methods in Predicting hERG Channel Blockers" @default.
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