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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.
Bestgen, Benoît Kufareva, Irina Seetoh, Weiguang Abell, Chris Hartmann, Rolf W Abagyan, Ruben Le Borgne, Marc Filhol, Odile Cochet, Claude Lomberget, Thierry
Bestgen, Benoît
Kufareva, Irina
Seetoh, Weiguang
Abell, Chris
Hartmann, Rolf W
Abagyan, Ruben
Le Borgne, Marc
Filhol, Odile
Cochet, Claude
Lomberget, Thierry
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2019-02-28
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Abstract
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 (IC
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J Med Chem. 2019 Feb 28;62(4):1817-1836. doi: 10.1021/acs.jmedchem.8b01765. Epub 2019 Feb 13
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en
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1520-4804
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Attribution-NonCommercial-ShareAlike 4.0 International