Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screeningopen access
- Authors
- Park, Hwangseo; Chien, Pham Ngoc; Chun, Ha-Jung; Ryu, Seong Eon
- Issue Date
- Jul-2013
- Publisher
- KOREAN CHEMICAL SOC
- Keywords
- Virtual screening; Docking; LAR; Inhibitor; Drug design
- Citation
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.34, no.7, pp.2006 - 2010
- Indexed
- SCIE
SCOPUS
KCI
- Journal Title
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- Volume
- 34
- Number
- 7
- Start Page
- 2006
- End Page
- 2010
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/162470
- DOI
- 10.5012/bkcs.2013.34.7.2006
- ISSN
- 0253-2964
- Abstract
- Leukocyte common antigen-related phosphatase (LAP.) 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 LAP. inhibitors. Five of these inhibitors revealed micromolar inhibitory activities with the associated IC50 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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- Appears in
Collections - 서울 공과대학 > 서울 생명공학과 > 1. Journal Articles
- 서울 의과대학 > 서울 방사선종양학교실 > 1. Journal Articles
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