상세 정보

underline
Metadata Downloads : dc(xml) or Excel
Cited 0 time in scopus ci

Title 

Discovery of novel PRL-3 inhibitors based on the structure-based virtual screening

Authors 

H ParkS K JungDae Gwin JeongSeong Eon RyuSeung Jun Kim

Publisher 

Elsevier

Issue Date 

2008

Citation 

Bioorganic & Medicinal Chemistry Letters, vol. 18, no. 7, pp. 2250-2255

Keywords 

anti-cancer agentsdockinginhibitorPRL-3virtual screeningphosphatase of regenerating liver protein 3phosphoprotein phosphatase inhibitorcrystal structuredrug screeningdrug structure

Abstract 

The inhibitors of phosphatase of regenerating liver-3 (PRL-3) have been shown to be useful as therapeutics for the treatment of cancer. We have been able to identify 12 novel PRL-3 inhibitors by means of the virtual screening with docking simulations under the consideration of the effects of ligand solvation in the scoring function. Because the newly identified inhibitors are structurally diverse and reveal a significant potency with IC50 values ranging from 10 to 50 μM, all of them can be considered for further development by structure-activity relationship or de novo design methods. Structural features relevant to the interactions of the newly identified inhibitors with the amino acid residues in the active site and the peripheral binding site of PRL-3 are discussed in detail.

ISSN 

0960-894X

Link 

http://dx.doi.org/10.1016/j.bmcl.2008.03.013

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2019-05-02


There are no files associated with this item.
qrcode

FusionCharts.
DSpace Software Coptright(c) 2010 MIT and Hewleft-Packard  /  KRIBB-REPOSITORY ( Email:jakim@kribb.re.kr)