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Virtual screening and optimization of type II inhibitors of JAK2 from a natural product library
Ma D.-L.1; Chan D.S.-H.1; Wei G.2; Zhong H.-J.3; Yang H.1; Leung L.T.2; Gullen E.A.4; Chiu P.2; Cheng Y.-C.4; Leung C.-H.3
2014
Source PublicationChemical Communications
ISSN13597345
Volume50Issue:90Pages:13885
Abstract

Amentoflavone has been identified as a JAK2 inhibitor by structure-based virtual screening of a natural product library. In silico optimization using the DOLPHIN model yielded analogues with enhanced potency against JAK2 activity and HCV activity in cellulo. Molecular modeling and kinetic experiments suggested that the analogues may function as Type II inhibitors of JAK2. © The Royal Society of Chemistry 2014.

DOI10.1039/c4cc04498c
URLView the original
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000343985600002
The Source to ArticleScopus
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Cited Times [WOS]:35   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorMa D.-L.; Chiu P.; Cheng Y.-C.; Leung C.-H.
Affiliation1.Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China
2.Department of Chemistry and the State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China
3.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macao, China
4.Department of Pharmacology, Yale University School of Medicine, New Haven, USA
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Ma D.-L.,Chan D.S.-H.,Wei G.,et al. Virtual screening and optimization of type II inhibitors of JAK2 from a natural product library[J]. Chemical Communications,2014,50(90):13885.
APA Ma D.-L..,Chan D.S.-H..,Wei G..,Zhong H.-J..,Yang H..,...&Leung C.-H..(2014).Virtual screening and optimization of type II inhibitors of JAK2 from a natural product library.Chemical Communications,50(90),13885.
MLA Ma D.-L.,et al."Virtual screening and optimization of type II inhibitors of JAK2 from a natural product library".Chemical Communications 50.90(2014):13885.
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