期刊
BIOORGANIC & MEDICINAL CHEMISTRY
卷 21, 期 21, 页码 6681-6689出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2013.08.013
关键词
Protein kinase CK2; 4 '-Hydroxyflavone; Inhibitor; Drug design; Docking; Molecular modeling
资金
- National Academy of Sciences of Ukraine [0107U003345, 0107U004939]
Human protein kinase CK2 is one of the most intriguing enzymes, which functional role still remains unclear despite of decades of studying. At present there is abundant evidence pointing to the fact that inhibitors of CK2 could be used as pharmaceutical agents to treat cancer, viral infections and inflammatory diseases. Here we report novel synthetic flavone inhibitors, 4'-hydroxyflavones, possessing high activity towards CK2. These compounds were identified with receptor-based virtual screening and then chemically optimized on the base of rationale derived from biochemical screening and molecular modeling. It has been demonstrated that synthetic flavone derivatives are much more potent CK2 inhibitors than the natural ones, and we believe that their further examination will be helpful for studying biological role of CK2 as well as for development of new kinase-oriented drugs. (C) 2013 Elsevier Ltd. All rights reserved.
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