Detalle de: Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A 2B Adenosine Receptor Antagonists
| Title | Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A 2B Adenosine Receptor Antagonists |
| Abstract |
A systematic exploration of bioisosteric replacements for furan and thiophene cores in a series of potent A 2B AR antagonists has been carried out using the nitrogen-walk approach. A collection of 42 novel alkyl 4-substituted-2-methyl-1,4-dihydrobenzo[4,5]imidazo[1,2- a ]pyrimidine-3-carboxylates, which contain 18 different pentagonal heterocyclic frameworks at position 4, was synthesized and evaluated. This study enabled the identification of new ligands that combine remarkable affinity ( K i h A 2B AR and the eutomer of the most attractive novel antagonist ( S )- 18g ( K i = 3.66 nM) was validated. |
| Apa Reference | Mallo-Abreu, A., Prieto-Díaz, R., Jespers, W., Azuaje, J., Majellaro, M., Velando, C., García-Mera, X., Caamaño, O., Brea, J., Loza, M.I., Gutiérrez-de-Terán, H. & Sotelo, E. (2020). Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A 2B Adenosine Receptor Antagonists. Journal of Medicinal Chemistry, 63(14), 7721-7739. 10.1021/acs.jmedchem.0c00564 |
| Doi | 10.1021/acs.jmedchem.0c00564 |
| Publication Date | 23 Jun 2020 |
| Publication Type | Article |
| Researcher | Hugo Gutiérrez de Terán Castañón |
| Ontology | Molecular Interactions/Docking |
| Research Groups | Computational Biochemistry of Membrane Receptors |
| Tools |