Virtual screening and biochemical evaluation of the inhibitors of dual-specificity phosphatase 26
- Authors
- Park, Hwangseo; Kyung, Ayoung; Lee, Hyun-Ju; Kang, Sunghyun; Yoon, Tae-Sung; Ryu, Seong Eon; Jeong, Dae Gwin
- Issue Date
- Aug-2013
- Publisher
- SPRINGER BIRKHAUSER
- Keywords
- Virtual screening; DUSP26; Inhibitor; Docking; Anticancer agents
- Citation
- MEDICINAL CHEMISTRY RESEARCH, v.22, no.8, pp.3905 - 3910
- Indexed
- SCIE
SCOPUS
- Journal Title
- MEDICINAL CHEMISTRY RESEARCH
- Volume
- 22
- Number
- 8
- Start Page
- 3905
- End Page
- 3910
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/162245
- DOI
- 10.1007/s00044-012-0405-3
- ISSN
- 1054-2523
- 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 mu M. 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.
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