| Residential College | false |
| Status | 已發表Published |
| 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
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| 2014 | |
| Source Publication | Chemical Communications
 |
| ISSN | 13597345 |
| Volume | 50Issue:90Pages:13859–14054 |
| 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. |
| DOI | 10.1039/c4cc04498c |
| URL | View the original |
| Indexed By | SCIE |
| Language | 英語English |
| WOS Research Area | Chemistry |
| WOS Subject | Chemistry, Multidisciplinary |
| WOS ID | WOS:000343985600002 |
| The Source to Article | Scopus |
| Scopus ID | 2-s2.0-84964314457 |
| Fulltext Access | |
| Citation statistics | |
| Document Type | Journal article |
| Collection | Institute of Chinese Medical Sciences |
| Corresponding Author | Ma D.-L.; Chiu P.; Cheng Y.-C.; Leung C.-H. |
| Affiliation | 1.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 Affilication | Institute 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), 13859–14054. |
| APA | Ma D.-L.., Chan D.S.-H.., Wei G.., Zhong H.-J.., Yang H.., Leung L.T.., Gullen E.A.., Chiu P.., Cheng Y.-C.., & Leung C.-H. (2014). Virtual screening and optimization of type II inhibitors of JAK2 from a natural product library. Chemical Communications, 50(90), 13859–14054. |
| 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):13859–14054. |
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