Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library

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 experiment...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Chem Commun (Camb)
Prif Awduron: Ma, Dik-Lung, Chan, Daniel Shiu-Hin, Wei, Guo, Zhong, Hai-Jing, Yang, Hui, Leung, Lai To, Gullen, Elizabeth A., Chiu, Pauline, Cheng, Yung-Chi, Leung, Chung-Hang
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2014
Pynciau:
Article
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4521218/
https://ncbi.nlm.nih.gov/pubmed/25225654
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4cc04498c
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