Study on the binding mode of a pyrrolotriazin derivative with JAK2 by docking and MD simulation
| Autor: | Si-Yan Liao, Hui Gao, Kangcheng Zheng, Jing Zhao, Songqing Mei |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Janus kinase 2
010304 chemical physics biology Chemistry Stereochemistry General Chemical Engineering 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences chemistry.chemical_compound Docking (molecular) Modeling and Simulation 0103 physical sciences biology.protein General Materials Science 0210 nano-technology Acetamide Information Systems |
| Zdroj: | Molecular Simulation. 45:230-238 |
| ISSN: | 1029-0435 0892-7022 |
| DOI: | 10.1080/08927022.2018.1557330 |
| Popis: | The pyrrolotriazin derivative 2-(4-(4-((7-(3-(N-methylmethylsulfonamido)phenyl)pyrrolo [2,1-f][1,2,4]triazin-2-yl)amino)phenyl)piperidin-1-yl)acetamide (PPA) is a potential Janus kinase 2 (JAK2) in... |
| Databáze: | OpenAIRE |
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