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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.
3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition.
Majellaro M, Jespers W, Crespo A, Núñez MJ, Novio S, Azuaje J, Prieto-Díaz R, Gioé C, Alispahic B, Brea J, Loza MI, Freire-Garabal M, Garcia-Santiago C, Rodríguez-García C, García-Mera X, Caamaño O, Fernandez-Masaguer C, Sardina JF, Stefanachi A, El Maatougui A, Mallo-Abreu A, Åqvist J, Gutiérrez-de-Terán H, Sotelo E. Majellaro M, et al. Among authors: jespers w. J Med Chem. 2021 Jan 14;64(1):458-480. doi: 10.1021/acs.jmedchem.0c01431. Epub 2020 Dec 29. J Med Chem. 2021. PMID: 33372800
Potent and Subtype-Selective Dopamine D2 Receptor Biased Partial Agonists Discovered via an Ugi-Based Approach.
Mallo-Abreu A, Reyes-Resina I, Azuaje J, Franco R, García-Rey A, Majellaro M, Miranda-Pastoriza D, García-Mera X, Jespers W, Gutiérrez-de-Terán H, Navarro G, Sotelo E. Mallo-Abreu A, et al. Among authors: jespers w. J Med Chem. 2021 Jun 24;64(12):8710-8726. doi: 10.1021/acs.jmedchem.1c00704. Epub 2021 Jun 10. J Med Chem. 2021. PMID: 34110150 Free PMC article.
A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models.
Tay AHM, Prieto-Díaz R, Neo S, Tong L, Chen X, Carannante V, Önfelt B, Hartman J, Haglund F, Majellaro M, Azuaje J, Garcia-Mera X, Brea JM, Loza MI, Jespers W, Gutierrez-de-Teran H, Sotelo E, Lundqvist A. Tay AHM, et al. Among authors: jespers w. J Immunother Cancer. 2022 May;10(5):e004592. doi: 10.1136/jitc-2022-004592. J Immunother Cancer. 2022. PMID: 35580926 Free PMC article.
37 results