Detalle de: Pyrazin-2(1 H )-Ones as a Novel Class of Selective A3 Adenosine Receptor Antagonists
| Title | Pyrazin-2(1 H )-Ones as a Novel Class of Selective A3 Adenosine Receptor Antagonists |
| Abstract |
Background A3AR antagonists are promising drug candidates as neuroprotective agents as well as for the treatment of inflammation or glaucoma. The most widely known A3AR antagonists are derived from polyheteroaromatic scaffolds, which usually show poor pharmacokinetic properties. Accordingly, the identification of structurally simple A3AR antagonists by the exploration of novel diversity spaces is a challenging goal. Results A convergent and efficient Ugi-based multicomponent approach enabled the discovery of pyrazin-2(1H)-ones as a novel class of A3AR antagonists. A combined experimental/computational strategy accelerated the establishment of the most salient features of the structure-activity and structure-selectivity relationships in this series. Conclusion The optimization process provided pyrazin-2(1H)-ones with improved affinity and a plausible hypothesis regarding their binding modes was proposed. |
| Apa Reference | Azuaje, J., Carbajales, C., González-Gómez, M., Coelho, A., Caamaño, O., Gutiérrez-de-Terán, H. & Sotelo, E. (2015). Pyrazin-2(1 H )-Ones as a Novel Class of Selective A3 Adenosine Receptor Antagonists. Future Medicinal Chemistry, 7(11), 1373-1380. 10.4155/fmc.15.69 |
| Doi | 10.4155/fmc.15.69 |
| Publication Date | 31 Jul 2015 |
| Publication Type | Article |
| Researcher | Hugo Gutiérrez de Terán Castañón |
| Ontology | Genome Assembly, Structure-function relationship, Drug Discovery and design, Molecular Interactions/Docking |
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