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Identification of Novel Polo-like Kinase 1 Inhibitors by a Hybrid Virtual Screening.
MedLine Citation:
PMID:  22583481     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Polo-like kinase 1 (PLK1) is an important and attractive oncological target that plays a key role in mitosis and cytokinesis. A combined pharmacophore- and docking-based virtual screening was performed to identify novel PLK1 inhibitors. A total of 34 hit compounds were selected and tested in vitro, and some compounds showed inhibition of PLK1 and human tumor cell growth. The most potent compound (66) inhibited PLK1 with an IC(50) value of 6.99 μM. The docked binding models of two hit compounds were discussed in detail. These compounds contained novel chemical scaffolds and may be used as foundations for the development of novel classes of PLK1 inhibitors. © 2012 John Wiley & Sons A/S.
Authors:
Shuai Lu; Shan-Liang Sun; Hai-Chun Liu; Ya-Dong Chen; Hao-Liang Yuan; Yi-Ping Gao; Pei Yang; Tao Lu
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-5-14
Journal Detail:
Title:  Chemical biology & drug design     Volume:  -     ISSN:  1747-0285     ISO Abbreviation:  -     Publication Date:  2012 May 
Date Detail:
Created Date:  2012-5-15     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101262549     Medline TA:  Chem Biol Drug Des     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Copyright Information:
© 2012 John Wiley & Sons A/S.
Affiliation:
Laboratory of Molecular Design and Drug Discovery, China Pharmaceutical University Nanjing, P.R. China Department of Organic Chemistry, China Pharmaceutical University, Nanjing, P.R. China School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, P.R. China State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing, P.R. China.
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