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Title 

Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors

Authors 

H ParkY J BahnSeong Eon Ryu

Publisher 

Elsevier

Issue Date 

2009

Citation 

Bioorganic & Medicinal Chemistry Letters, vol. 19, no. 15, pp. 4330-4334

Keywords 

Cdc25 phosphataseDe novo designDockingAnticancer agents

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 32 novel Cdc25 phosphatase inhibitors with micromolar activity by means of a structure-based de novo design method with the two known inhibitor scaffolds. 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.

ISSN 

0960-894X

Link 

http://dx.doi.org/10.1016/j.bmcl.2009.05.084

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2019-05-02


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