Discovery of novel and potent Cdc25 phosphatase inhibitors based on the structure-based de novo design

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Title
Discovery of novel and potent Cdc25 phosphatase inhibitors based on the structure-based de novo design
Author(s)
H Park; Suk-Kyeong Jung; Young Jae Bahn; Dae Gwin Jeong; S E Ryu; Seung Jun Kim
Bibliographic Citation
Bulletin of Korean Chemical Society, vol. 30, no. 6, pp. 1313-1316
Publication Year
2009
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.
Keyword
Anticancer agentsCdc25 phosphataseDe novo designInhibitor
ISSN
0253-2964
Publisher
Wiley
DOI
http://dx.doi.org/10.5012/bkcs.2009.30.6.1313
Type
Article
Appears in Collections:
Division of Research on National Challenges > Infectious Disease Research Center > 1. Journal Articles
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