2-Aminothiazole Derivatives as Selective Allosteric Modulators of the Protein Kinase CK2. 2. Structure-Based Optimization and Investigation of Effects Specific to the Allosteric Mode of Action.
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Authors
Bestgen, BenoîtKufareva, Irina
Seetoh, Weiguang
Abell, Chris
Hartmann, Rolf W
Abagyan, Ruben
Le Borgne, Marc
Filhol, Odile
Cochet, Claude
Lomberget, Thierry
Engel, Matthias
Issue Date
2019-02-28
Metadata
Show full item recordAbstract
Protein CK2 has gained much interest as an anticancer drug target in the past decade. We had previously described the identification of a new allosteric site on the catalytic α-subunit, along with first small molecule ligands based on the 4-(4-phenylthiazol-2-ylamino)benzoic acid scaffold. In the present work, structure optimizations guided by a binding model led to the identification of the lead compound 2-hydroxy-4-((4-(naphthalen-2-yl)thiazol-2-yl)amino)benzoic acid (27), showing a submicromolar potency against purified CK2α (ICCitation
J Med Chem. 2019 Feb 28;62(4):1817-1836. doi: 10.1021/acs.jmedchem.8b01765. Epub 2019 Feb 13Affiliation
HIPS, Helmholtz-Institut für Pharmazeutische Forschung Saarland, Universitätscampus E8.1 66123 Saarbrücken, Germany.Publisher
American Chemical SocietyJournal
Journal of Medicinal ChemistryPubMed ID
30689946Type
ArticleLanguage
enISSN
1520-4804ae974a485f413a2113503eed53cd6c53
10.1021/acs.jmedchem.8b01765
Scopus Count
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