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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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| 出版年: | Chem Commun (Camb) |
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| 主要な著者: | , , , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2014
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| 主題: | |
| オンライン･アクセス: | 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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