Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity
| Autor: | Shadia A. Galal, Fatma A.F. Ragab, Mamdouh M. Ali, Hoda I. El Diwani, Salwa M. Soliman, Ahmed S. Abdelsamie, Gerhard Wolber, Sarah H. M. Khairat, Jérémie Mortier |
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| Rok vydání: | 2014 |
| Předmět: |
Antineoplastic Agents
Pharmacology Receptor tyrosine kinase Structure-Activity Relationship Quinoxalines Drug Discovery medicine Humans Cytotoxic T cell Enzyme Inhibitors Cell Proliferation Cisplatin Dose-Response Relationship Drug Molecular Structure biology Chemistry Organic Chemistry Receptor Protein-Tyrosine Kinases Hep G2 Cells General Medicine Molecular Docking Simulation Biochemistry Cyclooxygenase 2 Docking (molecular) Drug Design Trk receptor MCF-7 Cells biology.protein Cyclooxygenase Drug Screening Assays Antitumor Selectivity Tyrosine kinase medicine.drug |
| Zdroj: | European Journal of Medicinal Chemistry. 86:122-132 |
| ISSN: | 0223-5234 |
| DOI: | 10.1016/j.ejmech.2014.08.048 |
| Popis: | On continuation to our work, new quinoxalin-2(1H)-ones were synthesized to study their cytotoxic effect against HepG-2 and MCF-7 with their effect on the human tyrosine kinase (TRK). Compounds 12, 18, 15, 13, 11a, 20 and 16, respectively, were found to be more potent than cisplatin against HepG2 and selective to TRK. Also, compounds 12, 18, 20, 13, 14, and 22, respectively, exhibited decidedly activity against MCF-7 and selectivity against human TRK compared to cisplatin. A molecular docking study was also performed to gain comprehensive understanding into plausible binding modes and to conclude the structure activity relationships of the synthesized compounds. Moreover, anti-inflammatory activity was studied. Compounds 12, 15, 18 and 22 were found to be potent and selective against COX-2. |
| Databáze: | OpenAIRE |
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