Cargando…
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...
Autores principales: | Goel, Himanshu, Yu, Wenbo, MacKerell, Alexander D. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
2022
|
Materias: | |
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 |
Ejemplares similares
-
Rapid and accurate estimation of protein–ligand relative binding affinities using site-identification by ligand competitive saturation
por: Goel, Himanshu, et al.
Publicado: (2021) -
Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
por: Guvench, Olgun, et al.
Publicado: (2009) -
Specificity of Molecular Fragments Binding to S100B versus S100A1 as Identified by NMR and Site Identification by Ligand Competitive Saturation (SILCS)
por: Young, Brianna D., et al.
Publicado: (2021) -
Role of the pH in state-dependent blockade of hERG currents
por: Wang, Yibo, et al.
Publicado: (2016) -
The electric heart of hERG
por: Islas, León D.
Publicado: (2013)