Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening

  • Park, Hwangseo (Department of Bioscience and Biotechnology, Sejong University) ;
  • Pham, Ngoc Chien (Department of Bioengineering, Hanyang University) ;
  • Chun, Ha-Jung (Department of Radiation Oncology, College of Medicine, Hanyang University) ;
  • Ryu, Seong Eon (Department of Bioengineering, Hanyang University)
  • Received : 2013.03.14
  • Accepted : 2013.04.03
  • Published : 2013.07.20
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Abstract

Leukocyte common antigen-related phosphatase (LAR) has been considered a promising target for the development of therapeutics for neurological diseases. Here, we report the first example for a successful application of the structure-based virtual screening to identify the novel small-molecule LAR inhibitors. Five of these inhibitors revealed micromolar inhibitory activities with the associated $IC_{50}$ values ranging from 2 to 6 ${\mu}M$. Because the newly identified inhibitors were also screened for having desirable physicochemical properties as a drug candidate, they may serve as a starting point of the structure-activity relationship study to optimize the medical efficacy. Structural features relevant to the stabilization of the new inhibitors in the active site of LAR are discussed in detail.

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References

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