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Title 

Virtual screening and biochemical evaluation of the inhibitors of dual-specificity phosphatase 26

 

DUSP26 저해제의 가상검색과 생화학적 평가

Authors 

H ParkAyoung GyeongH J LeeSunghyun KangTae-Sung YoonS E RyuDae Gwin Jeong

Publisher 

Springer Verlag (Germany)

Issue Date 

2013

Citation 

Medicinal Chemistry Research, vol. 22, no. 8, pp. 3905-3910

Keywords 

Anticancer agentsDockingDUSP26InhibitorVirtual screening

Abstract 

Dual-specificity phosphatase 26 (DUSP26) has recently proved to be a promising therapeutical target for the treatment of human cancers. Here, we report the first example for a successful application of the structure-based virtual screening approach to identify nine novel inhibitors of DUSP26. These inhibitors are also screened for having desirable physicochemical properties as drug candidates and reveal a high potency with IC50 values ranging from 8 to 42 μM. Therefore, they deserve consideration for further development by structure-activity relationship (SAR) studies to optimize the anticancer activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of DUSP26 are addressed in detail.

ISSN 

1054-2523

Link 

http://dx.doi.org/10.1007/s00044-012-0405-3

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2019-05-02


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