Výsledky vyhledávání - "María, Majellaro"

Catalytic performance of a metal-free graphene oxide-Al2O3 composite assembled by 3D printing

Autor: Adrián Rama, Carmen R. Tubío, Eddy Sotelo, Ana Mallo-Abreu, Xerardo García-Mera, Francisco Guitián, Jhonny Azuaje, Mónica G. Boado, Alvaro Gil, Rubén Prieto, María Majellaro

Publikováno v: Journal of the European Ceramic Society. 41:1399-1406

This paper describes the first example of a 3D printed metal-free graphene oxide-Al2O3 (GO-Al2O3) catalytic system and evaluates its catalytic performance in model transformations. A new functional architecture creates synergies to combine the excell

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::151fcd5e9aa6108e162c013ae22d021d
https://doi.org/10.1016/j.jeurceramsoc.2020.10.010

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X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists

Autor: María Majellaro, Robert M. Cooke, Andrei Zhukov, Andrew S. Doré, Francesca Deflorian, Henrik Keränen, Hugo Gutiérrez-de-Terán, Grégory Verdon, Miles Congreve, Johan Åqvist, Eddy Sotelo, Jhonny Azuaje, Xerardo García-Mera, Chris de Graaf, Willem Jespers, Jonathan S. Mason

Publikováno v: Angewandte Chemie (International Ed. in English)
Minerva: Repositorio Institucional de la Universidad de Santiago de Compostela
Universidad de Santiago de Compostela (USC)
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname

We present a robust protocol based on iterations of free energy perturbation (FEP) calculations, chemical synthesis, biophysical mapping and X‐ray crystallography to reveal the binding mode of an antagonist series to the A2A adenosine receptor (AR)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1fb82a0e9f21ff3cb50f65224bd63c71
https://doi.org/10.1002/anie.202003788

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Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A2B Adenosine Receptor Antagonists

Autor: José Brea, Jhonny Azuaje, Hugo Gutiérrez-de-Terán, Olga Caamaño, Carmen Velando, María Isabel Loza, Xerardo García-Mera, Ana Mallo-Abreu, María Majellaro, Willem Jespers, Rubén Prieto-Díaz, Eddy Sotelo

Publikováno v: Journal of Medicinal Chemistry. 63:7721-7739

A systematic exploration of bioisosteric replacements for furan and thiophene cores in a series of potent A2BAR antagonists has been carried out using the nitrogen-walk approach. A collection of 42 novel alkyl 4-substituted-2-methyl-1,4-dihydrobenzo[

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ffeb629a9b8edde0c6e407cce9e5e51f
https://doi.org/10.1021/acs.jmedchem.0c00564

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Autor: Rafael Franco, Alejandro Lillo, Carlos Ferreiro-Vera, Xavier Nadal, Verónica Sánchez de Medina, Rafael Rivas-Santisteban, Jaume Lillo, Eddy Sotelo, Gemma Navarro, Irene Reyes-Resina, María Majellaro, Iu Raïch

Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
Pharmacological research, 174:105970

We have here assessed, using Δ9 -tetrahydrocannabinol (Δ9 -THC) for comparison, the effect of Δ9 -tetrahydrocannabinolic acid (Δ9 -THCA) and of Δ9 -tetrahydrocannabivarin (Δ9-THCV) that is mediated by human versions of CB1, CB2, and CB1-CB2 rec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2939f15323c62b28db975529ed4ea4d
http://hdl.handle.net/2445/184616

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Trifluorinated Pyrimidine-Based A2B Antagonists: Optimization and Evidence of Stereospecific Recognition

Autor: Xerardo García-Mera, Jhonny Azuaje, Willem Jespers, Olga Caamaño, Hugo Gutiérrez-de-Terán, María Isabel Loza, María Majellaro, Eddy Sotelo, José Brea, Ana Mallo-Abreu

Publikováno v: Journal of Medicinal Chemistry. 62:9315-9330

We report the identification of two subsets of fluorinated nonxanthine A2B adenosine receptor antagonists. The novel derivatives explore the effect of fluorination at different positions of two pyrimidine-based scaffolds. The most interesting ligands

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::89b2474a26355933cbaa750412c12bb4
https://doi.org/10.1021/acs.jmedchem.9b01340

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Akademický článek

Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors

Autor: Willem Jespers, Ana Oliveira, Rubén Prieto-Díaz, María Majellaro, Johan Åqvist, Eddy Sotelo, Hugo Gutiérrez-de-Terán

Publikováno v: Molecules, Vol 22, Iss 11, p 1945 (2017)

The four receptors that signal for adenosine, A1, A2A, A2B and A3 ARs, belong to the superfamily of G protein-coupled receptors (GPCRs). They mediate a number of (patho)physiological functions and have attracted the interest of the biopharmaceutical

Externí odkaz: https://doaj.org/article/f115c7958c5a494a9a1eab7fe8bc2ac6

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Identification of V6.51L as a selectivity hotspot in stereoselective A(2B) adenosine receptor antagonist recognition

Autor: María Majellaro, Xuesong Wang, Willem Jespers, Adriaan P. IJzerman, Hugo Gutiérrez-de-Terán, Rubén Prieto-Díaz, Gerard J. P. van Westen, Eddy Sotelo, Laura H Heitman

Publikováno v: Minerva: Repositorio Institucional de la Universidad de Santiago de Compostela
Universidad de Santiago de Compostela (USC)
Scientific Reports
Scientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
Scientific Reports, 11. Springer Science and Business Media LLC
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname

The four adenosine receptors (ARs) A1AR, A2AAR, A2BAR, and A3AR are G protein-coupled receptors (GPCRs) for which an exceptional amount of experimental and structural data is available. Still, limited success has been achieved in getting new chemical

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::736f2ed503fbf99280475a2a5f1764f4
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-451767

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Potent and subtype-selective dopamine D2 receptor biased partial agonists discovered via an Ugi-based approach

Autor: Xerardo García-Mera, Hugo Gutiérrez-de-Terán, Aitor García-Rey, María Majellaro, Willem Jespers, Eddy Sotelo, Jhonny Azuaje, Irene Reyes-Resina, Rafael Franco, Ana Mallo-Abreu, Darío Miranda-Pastoriza, Gemma Navarro

Publikováno v: Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname

Using a previously unexplored, efficient, and versatile multicomponent method, we herein report the rapid generation of novel potent and subtype-selective DRD2 biased partial agonists. This strategy exemplifies the search for diverse and previously u

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1bfa1719587476c1f797c1b9174dc16
http://hdl.handle.net/10347/29029

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