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X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists.
Jespers W, Verdon G, Azuaje J, Majellaro M, Keränen H, García-Mera X, Congreve M, Deflorian F, de Graaf C, Zhukov A, Doré AS, Mason JS, Åqvist J, Cooke RM, Sotelo E, Gutiérrez-de-Terán H. Jespers W, et al. Angew Chem Int Ed Engl. 2020 Sep 14;59(38):16536-16543. doi: 10.1002/anie.202003788. Epub 2020 Jul 22. Angew Chem Int Ed Engl. 2020. PMID: 32542862 Free PMC article.
1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.
Fernández F, Caamaño O, Isabel Nieto M, López C, García-Mera X, Stefanachi A, Nicolotti O, Isabel Loza M, Brea J, Esteve C, Segarra V, Vidal B, Carotti A. Fernández F, et al. Bioorg Med Chem. 2009 May 15;17(10):3618-29. doi: 10.1016/j.bmc.2009.03.062. Epub 2009 Apr 5. Bioorg Med Chem. 2009. PMID: 19398343
Ugi-based approaches to quinoxaline libraries.
Azuaje J, El Maatougui A, García-Mera X, Sotelo E. Azuaje J, et al. ACS Comb Sci. 2014 Aug 11;16(8):403-11. doi: 10.1021/co500036n. Epub 2014 May 14. ACS Comb Sci. 2014. PMID: 24800648
77 results