Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening 


Vol. 34,  No. 7, pp. 2006-2010, Jul.  2013
10.5012/bkcs.2013.34.7.2006


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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 IC50 values ranging from 2 to 6 μM. 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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[IEEE Style]

H. Park, P. N. Chien, H. Chun, S. E. Ryu, "Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening," Bulletin of the Korean Chemical Society, vol. 34, no. 7, pp. 2006-2010, 2013. DOI: 10.5012/bkcs.2013.34.7.2006.

[ACM Style]

Hwangseo Park, Pham Ngoc Chien, Ha-Jung Chun, and Seong Eon Ryu. 2013. Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening. Bulletin of the Korean Chemical Society, 34, 7, (2013), 2006-2010. DOI: 10.5012/bkcs.2013.34.7.2006.

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ISSN(Print) 0253-2964
ISSN(Online) 1229-5949