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In silico identification of natural product inhibitors of JAK2
Zhong H.-J.1; Lin S.2; Tam I.L.1; Lu L.2; Chan D.S.-H.2; Ma D.-L.2; Leung C.-H.1
2015
Source PublicationMethods
ISSN10959130 10462023
Volume71Issue:CPages:21-25
Abstract

Emodic 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
Indexed BySCIE
Language英語English
WOS Research AreaBiochemistry & Molecular Biology
WOS SubjectBiochemical Research Methods ; Biochemistry & Molecular Biology
WOS IDWOS:000348264200004
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Cited Times [WOS]:9   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorMa D.-L.; Leung C.-H.
Affiliation1.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macao, China
2.Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China
First Author AffilicationInstitute of Chinese Medical Sciences
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
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.,Ma D.-L.,&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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