Virtual screening and biochemical evaluation of the inhibitors of dual-specificity phosphatase 26 = DUSP26 저해제의 가상검색과 생화학적 평가

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Title
Virtual screening and biochemical evaluation of the inhibitors of dual-specificity phosphatase 26 = DUSP26 저해제의 가상검색과 생화학적 평가
Author(s)
H Park; Ayoung Gyeong; H J Lee; Sunghyun KangTae-Sung Yoon; S E Ryu; Dae Gwin Jeong
Bibliographic Citation
Medicinal Chemistry Research, vol. 22, no. 8, pp. 3905-3910
Publication Year
2013
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.
Keyword
Anticancer agentsDockingDUSP26InhibitorVirtual screening
ISSN
1054-2523
Publisher
Springer
DOI
http://dx.doi.org/10.1007/s00044-012-0405-3
Type
Article
Appears in Collections:
Division of Biomedical Research > Disease Target Structure Research Center > 1. Journal Articles
Division of Research on National Challenges > Infectious Disease Research Center > 1. Journal Articles
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