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In silico identification of natural product inhibitors of JAK2
Zhong H.-J.2; Lin S.1; Tam I.L.2; Lu L.1; Chan D.S.-H.1; Ma D.-L.1; Leung C.-H.2
2015
Source PublicationMethods
ISSN10959130 10462023
Volume71Issue:CPages:21-25
AbstractEmodic acid (1) and 6-chloroemodic acid (2) have been identified from a natural product database as useful scaffolds for the future development of novel JAK2 inhibitors using structure-based high-throughput virtual screening. Low-energy binding conformations of 1 and 2 in the JAK2 PTK domain were generated by virtual ligand docking and were found to overlap considerably with the binding pose of CMP6, a known JAK2 inhibitor. Compounds 1 and 2 displayed low micromolar efficacies against JAK2 enzyme activity and JAK2 autophosphorylation in human erythroleukemia cells, and inhibited STAT3 DNA-binding activity in a human hepatocarcinoma cell line.
Keyword6-Chloroemodic acid Emodic acid JAK2 Natural product Virtual screening
DOI10.1016/j.ymeth.2014.07.003
URLView the original
Language英語
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Cited Times [WOS]:7   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Affiliation1.Hong Kong Baptist University
2.University of Macau
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Zhong H.-J.,Lin S.,Tam I.L.,et al. In silico identification of natural product inhibitors of JAK2[J]. Methods,2015,71(C):21-25.
APA Zhong H.-J..,Lin S..,Tam I.L..,Lu L..,Chan D.S.-H..,...&Leung C.-H..(2015).In silico identification of natural product inhibitors of JAK2.Methods,71(C),21-25.
MLA Zhong H.-J.,et al."In silico identification of natural product inhibitors of JAK2".Methods 71.C(2015):21-25.
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