Discovery of Novel and Potent Cdc25 Phosphatase Inhibitors Based on the Structure-Based De Novo Design
- Authors
- Park, Hwangseo; Jung, Suk-Kyeong; Bahn, Young Jae; Jeong, Dae Gwin; Ryu, Seong Eon; Kim, Seung Jun
- Issue Date
- Jun-2009
- Publisher
- WILEY-V C H VERLAG GMBH
- Keywords
- Cdc25 phosphatase; De novo design; Inhibitor; Anticancer agents
- Citation
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.30, no.6, pp.1313 - 1316
- Indexed
- SCIE
SCOPUS
KCI
- Journal Title
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- Volume
- 30
- Number
- 6
- Start Page
- 1313
- End Page
- 1316
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/176742
- DOI
- 10.5012/bkcs.2009.30.6.1313
- ISSN
- 0253-2964
- 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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