Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Discovery of Novel and Potent Cdc25 Phosphatase Inhibitors Based on the Structure-Based De Novo Design

  • Park, Hwang-Seo (Department of Bioscience and Biotechnology, Sejong University) ;
  • Jung, Suk-Kyeong (Medical Proteomics Research Center, Korea Research Institute of Bioscience and Biotechnology) ;
  • Bahn, Young-Jae (Medical Proteomics Research Center, Korea Research Institute of Bioscience and Biotechnology) ;
  • Jeong, Dae-Gwin (Medical Proteomics Research Center, Korea Research Institute of Bioscience and Biotechnology) ;
  • Ryu, Seong-Eon (Department of Bio-engineering, Hanyang University) ;
  • Kim, Seung-Jun (Medical Proteomics Research Center, Korea Research Institute of Bioscience and Biotechnology)
  • Published : 2009.06.20
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Abstract

Cdc25 phosphatases have been considered as attractive drug targets for anticancer therapy due to the correlation of their overexpression with a wide variety of cancers. We have been able to identify five novel Cdc25 phosphatase inhibitors with micromolar activity by means of a structure-based de novo design method with a known inhibitor scaffold. Because the newly discovered inhibitors are structurally diverse and have desirable physicochemical properties as a drug candidate, they deserve further investigation as anticancer drugs. The differences in binding modes of the identified inhibitors in the active sites of Cdc25A and B are addressed in detail.

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