Identification of Potent VHZ Phosphatase Inhibitors with Structure-Based Virtual Screening
- Title
- Identification of Potent VHZ Phosphatase Inhibitors with Structure-Based Virtual Screening
- Author
- 류성언
- Keywords
- cheminformatics; computational chemistry; enzyme assays; medicinal chemistry
- Issue Date
- 2013-09
- Publisher
- SAGE PUBLICATIONS INC
- Citation
- JOURNAL OF BIOMOLECULAR SCREENING, 2013, 18(2), p.226-231
- 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 μM 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.
- URI
- http://journals.sagepub.com/doi/10.1177/1087057112463067http://hdl.handle.net/20.500.11754/50309
- ISSN
- 1087-0571
- DOI
- 10.1177/1087057112463067
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > BIOENGINEERING(생명공학과) > Articles
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