hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

Human ether-a-go-go-related gene (hERG) potassium channel is well-known contributor to drug-induced cardiotoxicity and therefore an extremely important target when performing safety assessments of drug candidates. Ligand-based approaches in connection with quantitative structure active relationships...

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Detalles Bibliográficos
Autores principales: Goel, Himanshu, Yu, Wenbo, MacKerell, Alexander D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9881610/
https://www.ncbi.nlm.nih.gov/pubmed/36712295
http://dx.doi.org/10.3390/chemistry4030045

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9881610/
https://www.ncbi.nlm.nih.gov/pubmed/36712295
http://dx.doi.org/10.3390/chemistry4030045

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