Competition between electrostatic interactions and halogen bonding in the protein–ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2α complexes

CK2 is a member of the CMGC group of eukaryotic protein kinases and a cancer drug target. It can be efficiently inhibited by halogenated benzotriazoles and benzimidazoles. Depending on the scaffold, substitution pattern, and pH, these compounds are either neutral or anionic. Their binding poses are...

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Detalles Bibliográficos
Autores principales: Winiewska-Szajewska, Maria, Czapinska, Honorata, Kaus-Drobek, Magdalena, Fricke, Anna, Mieczkowska, Kinga, Dadlez, Michał, Bochtler, Matthias, Poznański, Jarosław
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9641685/
https://www.ncbi.nlm.nih.gov/pubmed/36347916
http://dx.doi.org/10.1038/s41598-022-23611-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9641685/
https://www.ncbi.nlm.nih.gov/pubmed/36347916
http://dx.doi.org/10.1038/s41598-022-23611-0

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