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...

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Publicado en:Chem Commun (Camb)
Main Authors: 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
Formato: Artigo
Idioma:Inglês
Publicado: 2014
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Article
Acceso en liña: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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