Identification of Potent VHZ Phosphatase Inhibitors with Structure-Based Virtual Screening
- Authors
- Park, Hwangseo; Park, So Ya; Oh, Jung Jin; Ryu, Seong Eon
- Issue Date
- Feb-2013
- Publisher
- SAGE PUBLICATIONS INC
- Keywords
- cheminformatics; computational chemistry; enzyme assays; medicinal chemistry
- Citation
- JOURNAL OF BIOMOLECULAR SCREENING, v.18, no.2, pp.226 - 231
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF BIOMOLECULAR SCREENING
- Volume
- 18
- Number
- 2
- Start Page
- 226
- End Page
- 231
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/163517
- DOI
- 10.1177/1087057112463067
- ISSN
- 1087-0571
- Abstract
- VH1-like phosphatase Z (VHZ) has proved to be a promising target for the development of therapeutics for the treatment of human cancers. Here, we report the first example for a successful application of structure-based virtual screening to identify the novel small-molecule inhibitors of VHZ. These inhibitors revealed high potencies with the associated IC50 values ranging from 3 to 20 mu M and were also screened for having desirable physicochemical properties as a drug candidate. Therefore, they deserve consideration for further development by structure-activity relationship studies to optimize inhibitory and anticancer activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of VHZ are discussed in detail.
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