Abstract
Protein kinase CK2 (CK2) is a ubiquitous serine/threonine protein kinase for hundreds of endogenous substrates. CK2 has been considered to be involved in many diseases, including cancers. Herein we report the discovery of a novel ATP-competitive CK2 inhibitor. Virtual screening of a compound library led to the identification of a hit 2-phenyl-1,3,4-thiadiazole compound. Subsequent structural optimization resulted in the identification of a promising 4-(thiazol-5-yl)benzoic acid derivative.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Adenosine Triphosphate / chemistry
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Adenylyl Imidodiphosphate / chemistry
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Antineoplastic Agents / chemical synthesis*
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Antineoplastic Agents / chemistry
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Antineoplastic Agents / pharmacology
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Casein Kinase II / antagonists & inhibitors*
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Cell Line, Tumor
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Cell Proliferation / drug effects
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Crystallography, X-Ray
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Databases, Factual
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Drug Design
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Drug Screening Assays, Antitumor
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Humans
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Models, Molecular
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Protein Binding
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Small Molecule Libraries
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Structure-Activity Relationship
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Thiazoles / chemical synthesis*
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Thiazoles / chemistry
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Thiazoles / pharmacology
Substances
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Antineoplastic Agents
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Small Molecule Libraries
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Thiazoles
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Adenylyl Imidodiphosphate
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Adenosine Triphosphate
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Casein Kinase II