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  • Home
  • Research overview
    • Medicinal Chemistry and Chemical Biology of GPCRs
    • Development of novel multicomponent-based synthetic strategies
    • Design and optimization of novel heterogeneous catalysts by 3D printing
    • ComBioMed platform for drug discovery
  • Group members
  • Eddy
  • Publications
  • Doctoral Theses
  • Financial Support
  • News
  • Research opportunities

Publications

2025
2024
2023
2022
2021
2020
2019
2018
2017
2016
2015-2011
2010-2006
2005-
2025

Sepiolite/copper nanostructured compacts for healthcare and catalytic applications

Lopez-Esteban,S. Diaz,R. Cabal,B. Gil,A. Sotelo,E. Azuaje,J. Bartolome,J.F. Moya,J.S. Pecharroman,C.

Materials & Design, 255, 114200 (2025) | https://doi.org/10.1016/j.matdes.2025.114200

Cannabinoid CB1 Receptor Activation Mitigates N-Methyl-d-aspartate Receptor-Mediated Neurotoxicity

Gemma Navarro, Iu Raïch, Joan Biel Rebassa, Jaume Lillo, Catalina Pérez-Olives, Toni Capó, Erik Cubeles, Carlos A. Saura, Arnau Cordomí, Eddy Sotelo, Irene Reyes-Resina, and Rafael Franco

 ACS Pharmacol. Transl. Sci. 2025.  | https://doi.org/10.1021/acsptsci.5c00230


Conformational Restriction of Designer Drugs Reveals Subtype-Selective and Biased CB2 Agonists with Neuroprotective Effects

Gioé-Gallo C, Ortigueira S, Prieto-Díaz R, Contino M, Azuaje J, Perrone MG, Riganti C, Alberga D, Mangiatordi GF, Andújar-Arias A, García-Rey A, Graziano G, Stefanachi A, Val C, Martínez AL, Rebassa JB, Reza D, Selas A, Francavilla F, Paleo MR, García-Mera X, Loza MI, Navarro G, Brea J, Sotelo E.

J Med Chem. 2025 Aug 28;68(16):17103-17129. | https://doi.org/10.1021/acs.jmedchem.5c00604


Progress on the development of Class A GPCR-biased ligands

Morales P, Scharf MM, Bermudez M, Egyed A, Franco R, Hansen OK, Jagerovic N, Jakubík J, Keserű GM, Kiss DJ, Kozielewicz P, Larsen O, Majellaro M, Mallo-Abreu A, Navarro G, Prieto-Díaz R, Rosenkilde MM, Sotelo E, Stark H, Werner T, Wingler LM.

Br J Pharmacol. 2025 Jul;182(14):3249-3300. | https://doi.org/10.1111/bph.17301


Discovery of N-substituted-2-((arylethyl)amino)-2-(2-methoxyphenyl) acetamides: A novel family of antiplatelet agents

Lyanne Rodríguez, Carlos Rodríguez, Jhonny Azuaje, Rubén Prieto-Díaz, Antón L. Martínez, María I. Loza, José Brea, David Reza, Eddy Sotelo, Eduardo Fuentes

Biomedicine & Pharmacotherapy, 186, 2025, 117971 | https://doi.org/10.1016/j.biopha.2025.117971


Shaping Future Medicinal Chemists: Perspectives from European Schools of Pharmacy within the GP2A Network

Gülşah Bayraktar, Laura Carro, Michael Decker, Francesca Giuntini, Jean-Jacques Helesbeux, Pascal Marchand, Susan E Matthews, Florence O McCarthy, Shailesh N Mistry, Vânia M Moreira, Niamh M O’Boyle, Vittorio Pace, Christophe Rochais, Merve Saylam, Eddy Sotelo

J. Med. Chem. 2025, 68, 3, 2045–2047 | https://doi.org/10.1021/acs.jmedchem.4c03103


2024

Multicomponent Reactions Driving the Discovery and Optimization of Agents Targeting Central Nervous System Pathologies

Campos-Prieto, Lucía, García-Rey, Aitor, Sotelo, Eddy, Mallo-Abreu, Ana.

Beilstein J. Org. Chem. 2024, 20, 3151–3173 | https://doi.org/10.3762/bjoc.20.261


Progress on the development of class A GPCR biased ligands

Paula Morales, Magdalena M. Scharf, Marcel Bermudez, Attila Egyed, Rafael Franco, Olivia K. Hansen, Nadine Jagerovic, Jan Jakubík, György M. Keserű, Dóra Judit Kiss, Pawel Kozielewicz, Olav Larsen, Maria Majellaro, Ana Mallo-Abreu, Gemma Navarro, Rubén Prieto-Díaz, Mette M. Rosenkilde, Eddy Sotelo, Holger Stark, Tobias Werner, Laura M. Wingler,

British Journal of Pharmacology, 2024, 67 | https://doi.org/10.1111/bph.17301


N-Adamantyl-1-alkyl-4-oxo-1,4-dihydroquinoline-3-carboxamide Derivatives as Fluorescent Probes to Detect Microglia Activation through the Imaging of Cannabinoid Receptor Subtype 2 (CB2R)

Francesca Intranuovo, Maria Majellaro, Francesco Mastropasqua, Pietro Delre, Francesca Serena Abatematteo, Giuseppe Felice Mangiatordi, Angela Stefanachi, Josè Brea, Maria Isabel Loza, Chiara Riganti, Alessia Ligresti, Poulami Kumar, Daniela Esposito, Luigia Cristino, Alessandro Nicois, Lucía González, Maria Grazia Perrone, Nicola Antonio Colabufo, Eddy Sotelo, Carmen Abate, and Marialessandra Contino

J. Med. Chem. 2024 | https://doi.org/10.1021/acs.jmedchem.4c00564


Exploring Biginelli-based scaffolds as A2B adenosine receptor antagonists: Unveiling novel structure-activity relationship trends, lead compounds, and potent colorectal anticancer agents

Rubén Prieto-Díaz, Hugo Fojo-Carballo, Maria Majellaro, Tana Tandarić,  Jhonny Azuaje, José Brea, María I. Loza, Jorge Barbazán, Glòria Salort, Meera Chotalia, Iván Rodríguez-Pampín, Ana Mallo-Abreu, M. Rita Paleo, Xerardo García-Mera, Francisco Ciruela, Hugo Gutiérrez-de-Terán

Biomedicine & pharmacotherapy, 2024, 173, 116345 | https://doi.org/10.1016/j.biopha.2024.116345


Gemcitabine-Vitamin E Prodrug-Loaded Micelles for Pancreatic Cancer Therapy

Miguel Pereira-Silva, Darío Miranda-Pastoriza, Luis Diaz-Gomez, Eddy Sotelo, Ana Cláudia Paiva-Santos, Francisco Veiga, Angel Concheiro, Carmen Alvarez-Lorenzo

Pharmaceutics 2024, 16(1), 95; | https://doi.org/10.3390/pharmaceutics16010095


2023

A Robust and Efficient FRET-Based Assay for Cannabinoid Receptor Ligands Discovery

Gemma Navarro, Eddy Sotelo, Iu Raïch, María Isabel Loza, Jose Brea, Maria Majellaro

Molecules 2023, 28(24), 8107; | https://doi.org/10.3390/molecules28248107


Fluorescence based HTS-compatible ligand binding assays for dopamine D3 receptors in baculovirus preparations and live cells

Tahk M-J, Laasfeld T, Meriste E, Brea J, Loza MI, Majellaro M, Contino M, Sotelo E and Rinken A

Front. Mol. Biosci. 10:1119157 2023. | https://doi.org/10.3389/fmolb.2023.1119157


Pharmacological insights emerging from the characterization of a large collection of synthetic cannabinoid receptor agonists designer drugs

Claudia Gioé-Gallo, Sandra Ortigueira, José Brea, Iu Raïch, Jhonny Azuaje, M Rita Paleo, Maria Majellaro, María Isabel Loza, Cristian O Salas, Xerardo García-Mera, Gemma Navarro, Eddy Sotelo

Biomedicine & Pharmacotherapy 164 (2023) 114934 | https://doi.org/10.1016/j.biopha.2023.114934


Multicomponent Reaction-Assisted Drug Discovery: A Time- and Cost-Effective Green Approach Speeding Up Identification and Optimization of Anticancer Drugs

Graziano, G.; Stefanachi, A.; Contino, M.; Prieto-Díaz, R.; Ligresti, A.; Kumar, P.; Scilimati, A.; Sotelo, E.; Leonetti, F.

Int. J. Mol. Sci. 2023, 24, 6581 | https://doi.org/10.3390/ijms24076581


Development of Fluorescent 4‐[4-(3H‐Spiro[isobenzofuran-1,4′- piperidin]-1′-yl)butyl]indolyl Derivatives as High-Affinity Probes to Enable the Study of σ Receptors via Fluorescence-Based Techniques

Francesca Serena Abatematteo, Maria Majellaro, Bianca Montsch, Rubén Prieto-Díaz, Mauro Niso, Marialessandra Contino, Angela Stefanachi, Chiara Riganti, Giuseppe Felice Mangiatordi, Pietro Delre, Petra Heffeter, Eddy Sotelo and Carmen Abate

J. Med. Chem. 2023, 66, 6, 3798–3817 | https://doi.org/10.1021/acs.jmedchem.2c01227


Exploring the Effect of Halogenation in a Series of Potent and Selective A2B Adenosine Receptor Antagonists

Rubén Prieto-Díaz, Manuel González-Gómez, Hugo Fojo-Carballo, Jhonny Azuaje, Abdelaziz El Maatougui, Maria Majellaro, María I. Loza, José Brea, Víctor Fernández-Dueñas, M. Rita Paleo, Alejandro Díaz-Holguín, Beatriz Garcia-Pinel, Ana Mallo-Abreu, Juan C. Estévez, Antonio Andújar-Arias, Xerardo García-Mera, Iria Gomez-Tourino, Francisco Ciruela, Cristian O. Salas, Hugo Gutiérrez-de-Terán and Eddy Sotelo

J. Med. Chem. 2023, 66, 1, 890–912 | https://doi.org/10.1021/acs.jmedchem.2c01768


N-adamantyl-anthranil amide derivatives: New selective ligands for the cannabinoid receptor subtype 2 (CB2R)

Giovanni Graziano, Pietro Delre, Francesca Carofiglio, Josè Brea, Alessia Ligresti, Magdalena Kostrzewa, Chiara Riganti, Claudia Gioè-Gallo, Maria Majellaro, Orazio Nicolotti, Nicola Antonio Colabufo, Carmen Abate, Maria Isabel Loza, Eddy Sotelo, Giuseppe Felice Mangiatordi, Marialessandra Contino, Angela Stefanachi, Francesco Leonetti

European Journal of Medicinal Chemistry, Volume 248, 115109 (2023) | https://doi.org/10.1016/j.ejmech.2023.115109


Development of N-(1-Adamantyl)benzamides as Novel Anti-Inflammatory Multitarget Agents Acting as Dual Modulators of the Cannabinoid CB2 Receptor and Fatty Acid Amide Hydrolase

Francesca Intranuovo, Leonardo Brunetti, Pietro DelRe, Giuseppe Felice Mangiatordi, Angela Stefanachi, Antonio Laghezza, Mauro Niso, Francesco Leonetti, Fulvio Loiodice, Alessia Ligresti, Magdalena Kostrzewa, Jose Brea, Maria Isabel Loza, Eddy Sotelo, Michele Saviano, Nicola Antonio Colabufo, Chiara Riganti, Carmen Abate, and Marialessandra Contino

Journal of Medicinal Chemistry 2023 66 (1), 235-250 | DOI: 10.1021/acs.jmedchem.2c01084


Fluorescence based HTS- compatible ligand binding assays for dopamine D receptors in baculovirus preparations and live cells

Tahk M-J, Laasfeld T, Meriste E, Brea J, Loza MI, Majellaro M, Contino M, Sotelo E and Rinken A

Front. Mol. Biosci. 10:1119157 (2023) | DOI: 10.3389/fmolb.2023.1119157


2022

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Willem Jespers, Laura H. Heitman, Adriaan P. IJzerman, Eddy Sotelo, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutie ́rrez-de-Tera ́n

PLOS Computational Biology., 2021, 17, e1009152

https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1009152

 


A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models

Apple Hui Min Tay, Rubén Prieto-Díaz, Shiyong Neo, Le Tong, Xinsong Chen, Valentina Carannante, Björn Önfelt, Johan Hartman, Felix Haglund, Maria Majellaro, Jhonny Azuaje, Xerardo Garcia-Mera, Jose M Brea, Maria I Loza, Willem Jespers, Hugo Gutierrez-de-Teran, Eddy Sotelo, Andreas Lundqvist

J. Immunother Cancer, 2022, 10, e004592

https://jitc.bmj.com/content/10/5/e004592

 


Identification of A2BAR as a potential target in colorectal cancer using novel fluorescent GPCR ligands

Identification of A2BAR as a potential target in colorectal cancer using novel
fluorescent GPCR ligands

J. Barbazan, M. Majellaro, A. L. Martínez, J. M. Brea, E. Sotelo, M. Abal

Biomedicine & Pharmacotherapy 2022;153, 113408

https://www.sciencedirect.com/science/article/pii/S0753332222007971 


Optimization of 2-Amino-4,6-diarylpyrimidine-5-carbonitriles as Potent and Selective A1 Antagonists

Cristina Val, Carlos Rodríguez-García, Rubén Prieto-Díaz, Abel Crespo, Jhonny Azuaje, Carlos Carbajales, Maria Majellaro, Alejandro Díaz-Holguín, José M. Brea, Maria Isabel Loza, Claudia Gioé-Gallo, Marialessandra Contino, Angela Stefanachi, Xerardo García-Mera, Juan C. Estévez, Hugo Gutiérrez-de-Terán and Eddy Sotelo

J. Med. Chem. 2022, 63, 2091-2116.

https://doi.org/10.1021/acs.jmedchem.1c01636

 


Exploring Non-orthosteric Interactions with a Series of Potent and Selective A3 Antagonists

Darío Miranda-Pastoriza, Rodrigo Bernárdez, Jhonny Azuaje, Rubén Prieto-Díaz, Maria Majellaro, Ashish V. Tamhankar, Lucien Koenekoop, Alejandro González, Claudia Gioé-Gallo, Ana Mallo-Abreu, José Brea*, M. Isabel Loza, Aitor García-Rey, Xerardo García-Mera, Hugo Gutiérrez-de-Terán*, and Eddy Sotelo*

ACS Med. Chem. Lett. 2022, 13, 243-249.

https://doi.org/10.1021/acsmedchemlett.1c00598

 


2021

Similarities and differences upon binditng of naturally occurring Δ9-tetrahydrocannabinol-derivatives to cannabinoid CB1 and CB2 receptors

RaichIu Raich, Rafael Rivas-Santisteban, Alejandro Lillo, Jaume Lillo, Irene Reyes-Resina, Xavier Nadal, Carlos Ferreiro-Vera, Verónica Sánchez de Medina, Maria Majellaro, Eddy Sotelo, Gemma Navarro, Rafael Franco

 

Pharmacological Research, 2021, 174, 105970

https://doi.org/10.1016/j.phrs.2021.105970

 


Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition
Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagon…
Xuesong Wang, Willem Jespers, Rubén Prieto-Díaz, Maria Majellaro, Adriaan P IJzerman, Gerard JP van Westen, Eddy Sotelo, Laura H Heitman, Hugo Gutiérrez-de-Terán

 

Scientific Reports volume 11, Article number: 14171 (2021)

https://doi.org/10.1038/s41598-021-93419-x

 

 

 

 

 

 


Potent and Subtype-Selective Dopamine D2 Receptor Biased Partial Agonists Discovered via an Ugi-Based Approach

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

 

J. Med. Chem. 2021, 64, 8710-8726

https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c00704


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

JhonnyAzuaje, AdriánRama, AnaMallo-Abreu, Mónica G.Boado, MaríaMajellaro, Carmen R.Tubío, RubénPrieto, XerardoGarcía-Mera, FranciscoGuitián, EddySotelo, AlvaroGil

Journal of the European Ceramic Society, 2021, Volume 41, Issue 2, 1399-1406  https://doi.org/10.1016/j.jeurceramsoc.2020.10.010


3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure–Activity Relationship Studies, and Enantiospecific Recognition

María Majellaro, Willem Jespers, Abel Crespo, María J. Núñez, Silvia Novio, Jhonny Azuaje, Rubén Prieto-Díaz, Claudia Gioé, Belma Alispahic, José Brea*, María I. Loza, Manuel Freire-Garabal, Carlota Garcia-Santiago, Carlos Rodríguez-García, Xerardo García-Mera, Olga Caamaño, Christian Fernandez-Masaguer, Javier F. Sardina, Angela Stefanachi, Abdelaziz El Maatougui, Ana Mallo-Abreu, Johan Åqvist, Hugo Gutiérrez-de-Terán*, and Eddy Sotelo*

J. Med. Chem. 2021, 64, 1, 458–480, https://doi.org/10.1021/acs.jmedchem.0c01431


2020

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

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

Journal of Medicinal Chemistry, 2020, 63, 7721-7739. https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c00564


X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists

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

Angew. Chem. Int. Ed., 2020, 59 https://doi.org/10.1002/anie.202003788


The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein- Coupled Receptor Signaling

Martha E. Sommer, Jana Selent, Jens Carlsson, Chris De Graaf, David E. Gloriam, Gyorgy M. Keseru, Mickey Kosloff, Stefan Mordalski, Aurelien Rizk, Mette M. Rosenkilde, Eddy Sotelo, Johanna K. S. Tiemann, Andrew Tobin, Nina Vardjan, Maria Waldhoer, and Peter Kolb

ACS Pharmacol. Transl. Sci. 2020, 3, 2, 361–370. https://pubs.acs.org/doi/10.1021/acsptsci.0c00024


2019

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

Ana Mallo-Abreu, María Majellaro, Willem Jespers, Jhonny Azuaje, Olga Caamaño, XerardoGarcía-Mera, José M.Brea, MaríaI.Loza, HugoGutieŕrez-de-Terań,
and Eddy Sotelo

J. Med. Chem. 2019, 62, 9315−9330 https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01340


Free-Energy Calculations for Bioisosteric Modifications of A3 Adenosine Receptor Antagonists

Zuzana Jandova, Willem Jespers, Eddy Sotelo, Hugo Gutiérrez-de-Terán and Chris Oostenbrink

Int. J. Mol. Sci. 2019, 20(14), 3499 https://www.mdpi.com/1422-0067/20/14/3499


2018

Clinical validation of blood/brain glutamate grabbing in acute ischemic stroke.

Silva, A., Pérez-Díaz, A., Santamaría, M., Correa-Paz, C., Rodríguez-Yáñez, M., Ardá, A., Pérez-Mato, M., Iglesias-Rey, R., Brea, J., Azuaje, J., Sotelo, E., Sobrino, T., Loza, M., Castillo, J., Campos, F

Annals of Neurology, 2018, 84, 260-273. https://doi.org/10.1002/ana.25286


Structural Mapping ogf Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms.

Jespers, W., Schiedel, A. C., Heitman, L., Cooke, R., Leene, L., van Westen, G. J., Glorian, D. E., Muller, C. E., Sotelo, E., Gutiérrez de Terán, H.

Trends in Pharmacological Sciences, 2018, 39, 75-89. https://doi.org/10.1016/j.tips.2017.11.001


Three-Dimensional Printing in Catalysis: Combining 3D Heterogeneous Copper and Palladium Catalysts for Multicatalytic Multicomponent Reactions

Díaz-Marta, A.S. Tubío, C.R., Carbajales, C., Fernandez, C., Escalante, L., Sotelo, E., Guitián, F., Barrio, V. L., Gil, A., Coelho, A.

ACS Catalysis. 2018, 8, 392-404 https://pubs.acs.org/doi/abs/10.1021/acscatal.7b02592


2017

Development of Fluorescent Probes that Target Serotonin 5HT2B receptors

Azuaje, J., López, Paula, Iglesias, A., De la Fuente, R., Pérez-Rubio, J. M., García, D., Pérez, D., Stepniewski, T., García-Mera, X., Loza, M. I., Cadavid, M. I. Brea, J., Sotelo, E.*

Scientific Reports. 2017, 7, 11370-3. https://www.nature.com/articles/s41598-017-11370-2


Effect of Nitrogen Atom Substitution in A3 Adenosine Receptor Binding: N(4,6-Dirarylpyridin-2-yl)acetamides as Potent and Selective Antagonists

Azuaje, J., Jespers, W., Yaziji, V., Mallo, A., Majellaro, M., Caamaño, O., Loza, M. I., Cadavid, M. I. Brea, J. Gutiérrez de Terán, H., Sotelo, E.*

Journal of Medicinal Chemistry, 2017, 60, 7502-7511. https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.7b00860


3-Oxopyridazin-5-yl-Chalcone Hybrids: Potent Antiplatelet Agents that Prevent GP IIb/IIIa Activation

El Maatougui, A., Yañez, M., Crespo, A., Fraiz, N., Coelho, A., Raviña, E., Cano, E., Loza, M. I., Brea, J., Gutiérrez de Terán, H., Sotelo, E.*

ChemistrySelect, 2017, 2, 4920-4933. https://onlinelibrary.wiley.com/doi/10.1002/slct.201700243


Synthesis and Characterization of a New Bivalent Ligand Combining Caffeine and Docosahexaenoic Acid

Fernandez-Dueñas, V., Morato, X., Ciruela, F., Azuaje, J., Sotelo, E.* Cordobilla, B., Domingo, J.C.

Molecules. 2017, 22, 3661-11. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155394/


Enantiospecific Recognition at the A2B Adenosine Receptor by Alkyl 2-Cyanoimino-4-substituted-6-methyl-1,2,3,4-tetrahydropyrimiidine-5-carboxylates

Carbajales, C., Azuaje, J., Oliveira, A., Loza, M.I., Brea, J., Cadavid, M.I., Masaguer, C. F., García-Mera, X., Gutiérrez de Terán, H., Sotelo, E.*

Journal of Medicinal Chemistry. 2017, 60, 3372-3382. https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.7b00138


An Efficient and Recyclable 3D Printed α-Al2O3 Catalyst for the Multicomponent Assembly of Bioactive Heterocycles

Azuaje, J., Tubio, C.R., Escalante, L., Gomez, M., Coelho, A., Caamaño, O., Gil, A., Sotelo, E.*

Applied Catalysis, A: General, 2017, 530, 203-210. https://www.sciencedirect.com/science/article/pii/S0926860X16305701


Multicomponent Assembly of the Kinesin Spindle Protein Inhibitor CPUYJ039 and Analogues as Antimitotic Agents.

Carbajales, C., Sawada, J-C., Marzano, G., Sotelo, E., Escalante, L., Sanchez-Diaz Marta, A., García-Mera, X., Asai, A., Coelho, A.

ACS Comb. Sci. 2017, 19, 153-160. https://pubs.acs.org/doi/abs/10.1021/acscombsci.6b00166


Structure-Based Rational Design of Adenosine Receptor Ligands.

Gutiérrez-de-Terán, H. Sallander, J. Sotelo, E.

Current Topics In Medicinal Chemistry, 2017, 17, 40-58. https://www.ingentaconnect.com/contentone/ben/ctmc/2017/00000017/00000001/art00007


2016

Drug Structural Features Affect Drug Delivery from Hyperbranched Polyesteramide Hot Melt Extrudates.

Raviña-Eirín, E., Azuaje, J., Sotelo, E. Gómez-Amoza, J. L., Martínez-Pacheco, R.

European Journal of Pharmaceutics and Biopharmaceutics, 2016, 102, 1-78. https://www.sciencedirect.com/science/article/pii/S0939641116300108


Discovery of Potent and Highly Selective Adenosine A2B Receptor Antagonists Chemotypes.

El Maatougi, A., Azuaje, J., González-Gómez, M., Míguez, G., Crespo, A., García-Mera, X.,  Gutiérrez de Terán, H., Sotelo, E.*

Journal of Medicinal Chemistry, 2016, 59, 1967-1983. https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.5b01586


3D-Printing of a Heterogeneous Copper-Based Catalyst

Tubio, C. R., Azuaje, J., Escalante, L., Coelho, A., Sotelo, E. Gil, A.

Journal of Catalysis, 2016, 334, 110-115. https://www.sciencedirect.com/science/article/pii/S0021951715003838


2015-2011

Pyrazin-2(1H)-ones as a Novel Class of Selective A3 Adenosine Receptor Antagonists.

Azuaje, J., Carbajales, C, González-Gomes, M., Coelho, A., Caamaño, O., Gutierrez de Terán, H., Sotelo, E.

Future Medicinal Chemistry, 2015, 7, 1373-1380. https://www.future-science.com/doi/10.4155/fmc.15.69


Sol-Gel Entrapped Cu in Silica Matrix: An Efficienct Heterogeneous Nanocatalyst For Huisgen, and Ullmann Reactions.

Diz, P., Gil, A., Guitían, F., El Maatougui, A., Azuaje, J., Pernas, P., Sotelo, E., Coelho, A.

Applied Catalysis A: General  , 2015, 502, 86-95. https://www.sciencedirect.com/science/article/pii/S0926860X1530003X


Integrated Ugi-Based Assembly of Functional, Skeletal and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.

Azuaje, J., Pérez-Rubio, J. M., Yaziji, V., El Maatougui, González-Gómez, J. C., Masaguer, C. F., Sánchez-Pedregal, V., Navarro-Vázquez, A., Teijeira, M., Sotelo, E.*

J. Org. Chem. 2015, 80, 1533-1549. https://pubs.acs.org/doi/abs/10.1021/jo502382q


Computer-Aided Design of GPCR Ligands.

Gutiérrez-de-Terán, H., Keranen, H., Azuaje, J., Rodriguez, D., Sotelo, E.

Methods in Molecular Biology, 2015, 1272, 1272-1291. https://link.springer.com/protocol/10.1007%2F978-1-4939-2336-6_19


Structure-Based Design of Novel KSP-Eg5 Inhibitors Assisted by a Targeted Multicomponent Reaction.

Carbajales, C., Prado, M. A., Gutiérrez-de-Terán, H., Cores, A., Azuaje, J., Novio, S., Nuñez, M. J., Fernández, B., Sotelo, E., García-Mera, X., Sánchez-Lazo, P., Freire-Garabal, M., Coelho, A.

 

 

 

ChemBioChem, 2014, 15, 1471-1480. https://onlinelibrary.wiley.com/doi/full/10.1002/cbic.201402089

 

 

 


Ugi-Based Approaches to Quinoxaline Libraries.

Azuaje, J., El Maatougui, García-Mera, X., Sotelo, E.*

ACS Combinatorial Science, 2014, 16, 403-411. https://pubs.acs.org/doi/abs/10.1021/co500036n


Discovery of 3,4-Dihydropyrimidin-2(1H)-ones as a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists.

Crespo, A., El Maatougui, A.,Biagini, P., Azuaje, J., Coelho, A., García-Mera, X., Brea, J., Loza, M. I., Cadavid, M. I., Sotelo, E.*

ACS Medicinal Chemistry Letters, 2013, 4, 1031-1036. https://pubs.acs.org/doi/10.1021/ml400185v


Copper-Catalyzed Huisgen 1,3-Dipolar Cycloaddition Under Oxidative Conditions: Polymer-Assisted Assembly of 4-Acyl-1-Substituted-1,2,3-Triazoles

Diz, P., Coelho, A., El Maatougui, A., Azuaje, J., Caamaño, O., Gil, A., Sotelo, E.*

The Journal of Organic Chemistry, 2013, 78, 6540-6549. https://pubs.acs.org/doi/10.1021/jo400800j


Three-Component Assembly of Structurally Diverse 2-Aminopyrimidine-5-carbonitriles.

Val, C., Crespo, A., El Maatougui, A., Azuaje, J. A., Coelho, A., Sotelo, E.*

ACS Comb. Sci., 2013, 15, 370-378. https://pubs.acs.org/doi/abs/10.1021/co4000503


Multicomponent Assembly of Diverse Pyrazin-2(1H)-one Chemotypes

Azuaje, J., El Maatougui, A., Pérez-Rubio, J. M., Coelho, A., Fernández, F. Sotelo, E.*

The Journal of Organic Chemistry, 2013, 78, 4402-4409. https://pubs.acs.org/doi/abs/10.1021/jo4003163


Selective and potent Adenosine A3 Receptor Antagonists by Methoxyaryl Substitution on the N-(2,6-Diarylpyrimidin-4-yl)acetamide scaffold.

Yaziji, V., Rodríguez, D., Gutiérrez de Terán, H., Coelho, A., El Maatougui, A., Brea, J., Loza, M. I., Garcia-Mera, X., Cadavid, M.I., Sotelo, E.*

European Journal of Medicinal Chemistry. 2013, 59, 235-242. https://www.sciencedirect.com/science/article/pii/S0223523412006794


Discovery and Preliminary SAR of 5-Arylidene-2,2,-dimethyl-1,3-dioxane-2,4-diones as Platelet Aggregation Inhibitors.

El Maatougui, A., Azuaje, J., Coelho, A., Cano, E., Yañez, M., Yaziji, V., Carbajales, C., Sotelo, E.*

Combinatorial Chemistry & High Throughput Screening, 2012, 15, 551-554. http://www.eurekaselect.com/100357


Pyrimidine Derivatives as Potent and Selective A3 Adenosine Receptor Antagonists.

. Yaziji, V., Rodríguez, D., Gutiérrez de Terán, H., Coelho, A., Brea, J., Loza, M. I., Garcia-Mera, X., Cadavid, M.I., Caamaño, Sotelo, E.*

Journal of Medicinal Chemistry. 2011, 54, 457-471. https://pubs.acs.org/doi/abs/10.1021/jm100843z


Supported Tosic Acid as Highly Robust and Eco-Friendly Isocyanide´s Scavengers.

Azuaje, J., Al Maatougui, A., Blanco, J.M., Coelho, A., Sotelo, E.*

ACS Combinatorial Science, 2011, 13, 89-95. https://pubs.acs.org/doi/10.1021/co100035z


Silica-Supported Aluminum Chloride-Assisted Solution Phase Synthesis of Pyridazinone-Based Antiplatelet Agents.

El Maatougui, A., Azuaje, J., Sotelo, E., Caamaño, O., Coelho, A.

ACS Combinatorial Science 2011, 13, 7-12. https://pubs.acs.org/doi/abs/10.1021/co100017h


Convergent Assembly of Structurally Diverse Quinazolines.

Crespo, A., Coelho, A., Diz, P., Fernández, F., Novoa de Armas, H., Sotelo, E.*

Organic & Biomolecular Chemistry, 2011, 9, 351-357. https://pubs.acs.org/doi/abs/10.1021/co100017h


2010-2006

Polymer Supported 1,5,7-triazabicylo[4,4,0]dec-5-ene as Polyvalent Ligands in the Copper Catalysed Huisgen 1,3-Dipolar Cycloaddition.

Coelho, A., Díz, P., Caamaño, O., Sotelo, E.*

Advanced Synthesis & Catalysis, 2010, 352, 1179-1192. https://onlinelibrary.wiley.com/doi/10.1002/adsc.200900680


Divergent Solution Phase Synthesis of Diarylpirimidines as Selective A3 Adenosine Receptor Antagonsits

Yaziji, V., Coelho, A., El Maatougui, Brea, J., Loza, M. I., Garcia-Mera, X., Sotelo, E.*

Journal of Combinatorial Chemistry, 2009, 11, 519-522. https://pubs.acs.org/doi/10.1021/cc900044k


Synthetic Applications of Polystyrene 1,1,3,3-Tetramethylguanidine

Coelho, A., Crespo, A., Fernández, F., Biagini, P., Stefanachi, A., Sotelo, E.*

Combinatorial Chemistry & Highthroughput Screening, 2008, 11, 843-847. http://www.eurekaselect.com/68075


Click Chemistry Approach to Assembly Proline Mimetic Libraries Containing 1,4-Substituted 1,2,3-Triazoles.

Rodriguez-Borges, J. E., Gonçalves, S., do Vale, M. L., García-Mera, X., Coelho, A., Sotelo, E.

Journal of Combinatorial Chemistry, 2008, 10, 372-375. https://pubs.acs.org/doi/10.1021/cc800035z


Design, Synthesis and Biological Evaluation of Glycine-Based Molecular Tongs as Inhibitors of α-β 1-40 Aggregation in Vitro.

Cellamare, S., Stefanachi, A., Antonella, S., Basile, T., Catto, M., Campagna, F., Sotelo, E., Carotti, A.

Bioorganic & Medicinal Chemistry, 2008, 16, 4810-4822. https://www.sciencedirect.com/science/article/pii/S096808960800271X


1,3- and 8-Substituted-9-Deazaxanthines as Potent and Selective Antagonists at the Human A2B Adenosine Receptor

Stefanachi, A., Brea, J. M., Cadavid M. I., Centeno, N. B., Esteve, C., Loza, M. I., Martínez, A., Nieto, R., Raviña, E., Sanz, F., Segarra, V., Sotelo, E., Vidal, B., Carotti, A.

Bioorganic & Medicinal Chemistry, 2008, 16, 2852-2859. https://www.sciencedirect.com/science/article/pii/S0968089608000035


2-Substituted 4-, 5- and 6-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridazin-3(2H)-ones and 2-Substituted 4,5-bis[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridazin-3(2H)-ones as Potent Platelet Aggregation Inhibitors: Design, Synthesis and SAR Studies.

Meyers, C., Yáñez, M., Elmatougi, A., Verhest, T., Coelho, A., Fraiz, N., Lemière, G. L. F., García-Mera, X., Laguna, R., Cano, E., Maes, B. U. W., Sotelo, E.*

Bioorganic & Medicinal Chemistry Lett. 2008, 18, 793-797. https://www.sciencedirect.com/science/article/pii/S0960894X07013431


Synthesis, Adenosine Receptor Binding and 3D-QSAR- of 4-Substituted 2-(2´-furyl)-1,2,4-triazolo[1,5-a]quinoxalines.

Martínez A., Gutierrez de Terán, H., Brea, J. M., Raviña, E., Loza, M. I., Cadavid, M. I., Sanz, F., Segarra, V., Vidal, B. Sotelo, E.*

Bioorganic & Medicinal Chemistry, 2008, 16, 2103-2113. https://www.sciencedirect.com/science/article/pii/S0968089608000515


Design, Synthesis and Structure Activity Relationships of a Novel Series of 5-Alkylidenenpyridazin-3-ones with a non c-AMP-Based Antiplatelet Activity.

Coelho, A., Raviña, E., Yáñez, M., Fraiz, N., Laguna, R., Cano, E., Sotelo, E.*

Journal of Medicinal Chemistry, 2007, 50, 6476-6484. https://pubs.acs.org/doi/10.1021/jm061401d


Parallel Regulation By Olanzapine Of The Patterns Of Expression Of 5-Ht2a And D3 Receptors In Rat Central Nervous System And Blood Cells.

Padín; J. F., Rodríguez; M.A., Domínguez; E., Dopeso-Reyes; I. G., Buceta; M., Cano; E., Sotelo, E., Caruncho; H. J., Cadavid; M. I., Castro; M., Loza, M.I.

Neuropharmacology, 2006, 51, 923-932. https://www.sciencedirect.com/science/article/pii/S0028390806001882


Straighforward Entry to Libraries of Diversely Substituted Azinones by a Consecutive Aza-Michael/Palladium-Catalysed Functionalization Strategy.

Coelho, A., Sotelo, E.*

Journal of Combinatorial Chemistry, 2006, 8, 388-400. https://pubs.acs.org/doi/10.1021/cc060007y


Straightforward Three-Component Palladium Catalyzed Synthesis of 2,5-Disubstituted Pyridazin-3(2H)-ones.

Coelho, A., Sotelo, E.*

Combinatorial Chemistry & Highthroughput Screening, 2006, 9, 15-19. http://www.eurekaselect.com/55090/article/straightforward-three-component-palladium-catalysed-synthesis-pyridazin-32h-one


Synthesis, Antiplatelet Activity and SAR of 2,4,6-Substituted 5-(3-oxo-3-phenylprop-1-en-1-yl)- or 5-(3-phenylprop-2-enoyl)pyridazin-3(2H)-ones.

Crespo, A., Meyers, C., Coelho, A., Yáñez, M., Fraiz, N., Sotelo, E., Maes, B. U. W., Laguna, R., Cano, E., Lemière, G. L. F. and Raviña, E.

Bioorganic & Medicinal Chemistry Lett. 2006, 16, 1080-1083. https://www.sciencedirect.com/science/article/pii/S0960894X05013661


Design, Synthesis and Structure-Activity Relationships of 1,3,8- and 9-Substituted-9-Deazaxanthines at the human A2B Adenosine Receptor

Carotti, A., Cadavid, M. I., Centeno, N. B., Esteve, C., Loza, M. I., Martínez, A., Nieto, R., Raviña, E., Sanz, F., Segarra, V., Sotelo, E., Stefanachi, A., Vidal, B.

Journal of  Medicinal Chemistry, 2006, 49, 282-299. https://pubs.acs.org/doi/10.1021/jm0506221


2005-

Expanding the Chemical Diversity of Azinone Libraries by A Consecutive Alkylation/Palladium-Catalysed Functionalization Strategy

Coelho, A., Sotelo, E.*

Journal of Combinatorial Chemistry, 2005, 7, 526-529. https://pubs.acs.org/doi/10.1021/cc050036t


Reactivity of 5-Alkynylpyridazinones Toward Hydrochloric Acid

Coelho, A., Novoa, H., Peeters, O.M., Blaton, N., Sotelo, E.*

Tetrahedron, 2005, 61, 4785-4791. https://www.sciencedirect.com/science/article/pii/S004040200500428X


Reactivity of 5-Iodopyridazin-3(2H)-ones in Palladium-Catalysed Reactions

Coelho, A., Sotelo, E., Novoa, H., Peeters, O.M., Blaton, N., Raviña, E.

Tetrahedron, 2004, 60, 12177-12189. https://www.sciencedirect.com/science/article/pii/S0040402004016941


8-Substituted-9-deazaxanthines as Adenosine Receptor Ligands: Design, Synthesis and Structure-affinity Relationships at A2B

Carotti, A., Stefanachi, A., Raviña, E., Sotelo, E., Loza, M. I., Cadavid, M. I., Centeno, N. B.

European Journal of Medicinal Chemistry, 2004, 39, 879-887. https://www.sciencedirect.com/science/article/pii/S0223523404001618


Efficient Heck Alkenylation at position 5 of the 6-phenyl-3(2H)-pyridazinone System.

Coelho, A., Sotelo, E., Novoa, H., Blaton, N., Peeters, O.M., Raviña, E.

Tetrahedron Letters, 2004, 45, 3459-3463. https://www.sciencedirect.com/science/article/pii/S004040390400509X


Facile Solution Phase Combinatorial Synthesis of Highly Substituted Pyridazinones

Sotelo, E.*

Molecular Diversity 2004, 8, 159-163. https://link.springer.com/article/10.1023/B%3AMODI.0000025628.01102.81


Stille-Based Approaches in the Synthesis of 6-phenyl-5-Substituted-3(2H)-pyridazinones.

Sotelo, E., Coelho, A., Raviña, E.

Chem. Pharm. Bull., 2003, 5, 427-430. https://www.jstage.jst.go.jp/article/cpb/51/4/51_4_427/_pdf


Sonogashira Approaches in The Synthesis of 5-Substituted-6-phenyl-3(2H)-pyridazinones.

Coelho, A., Sotelo, E., Raviña, E.

Tetrahedron, 2003, 59, 2477-2484. https://www.sciencedirect.com/science/article/pii/S0040402003002631


Retro-Ene-Assisted Palladium-Catalysed Synthesis of 4,5-Disubstituted-3(2H)-pyridazinones.

Sotelo, E., Coelho, A., Raviña, E.

Tetrahedron Lett., 2003, 44, 4459-4462. https://www.sciencedirect.com/science/article/pii/S0040403903010293


Traceless Solid Phase Synthesis of 4,5- and 5,6-Diaryl-3(2H)-pyridazinones.

Sotelo, E., Raviña, E.

Synlett, 2003, 1113-1116. https://www.thieme-connect.com/products/ejournals/pdf/10.1055/s-2003-39882.pdf


Synthesis of 1-substituted-6-methyl Uracils.

Nieto, R., Coelho, A., Martínez, A., Stefanachi, A., Sotelo, E. Raviña, E.

Chem. Pharm. Bull. 2003, 51, 1025-1028. https://www.jstage.jst.go.jp/article/cpb/51/9/51_9_1025/_pdf


Efficient and Regioselective Pd-Catalysed Arylation of 4-Bromo-6-chloro-3-phenylpyridazine.

Sotelo, E., Raviña, E.

Synlett, 2002, 223-226. https://www.thieme-connect.com/products/ejournals/abstract/10.1055/s-2002-19761


A Joint Theoretical and Experimental Approach to the Synthesis of 6-Phenyl-4,5-disubstituted-3(2H)-Pyridazinones.

Sotelo, E., Centeno, N. B., Rodrigo, J., Raviña, E.

Tetrahedron, 2002, 58, 2389-2395. https://www.sciencedirect.com/science/article/pii/S0040402002001205


5-Alkylidene-6-phenyl-3(2H)-pyridazinones a new family of platelet aggregation inhibitors.

Sotelo, E., Fraiz, N., Yañez, M., Laguna, R., Cano, E., Brea, J., Raviña, E.

Bioorg. Med. Chem. Lett., 2002, 10, 1575-1577. https://www.sciencedirect.com/science/article/pii/S0960894X02002469


Synthesis and Platelet Aggregation Inhibition Activity of 5-Substituted-6-phenyl-3(2H)-pyridazinones. Novel Aspects of their Biological Actions.

Sotelo, E., Fraiz, N., Yañez, M., Terrades, V., Laguna, R., Cano, E., Raviña, E.

Bioorg. Med. Chem., 2002, 10, 2873-2882. https://www.sciencedirect.com/science/article/pii/S0968089602001463


Efficient N-Methylation of Diversely Substituted 3(2H)-Pyridazinones Using N,N- Dimethylformamide dimethylacetal

Sotelo, E., Raviña, E.

Synth. Commun., 2002, 32, 1675-1680. https://www.tandfonline.com/doi/full/10.1081/SCC-120004258


Recent Advances in the Chemistry of 6-Aryl-5-substituted-3(2H)-pyridazinones

Sotelo, E., Raviña, E.

Trends in Heterocyclic Chemistry, 2002, 8, 113-125. http://researchtrends.net/tia/abstract.asp?in=0&vn=8&tid=3&aid=670&pub=2002&type=3


1,5-Dimethyl-6H-pyridazino[4,5-b]carbazole, a 3-Aza Bioisoster of the Antitumor Alkaloid Olivacine

Haider, N., Sotelo, E.

Chem. Pharm. Bull., 2002, 50, 1479-1483. https://www.jstage.jst.go.jp/article/cpb/50/11/50_11_1479/_article


Synthesis and Antiplatelet Activity of 4,5-disubstituted-6-phenyl-3(2H)-pyridazinones

Sotelo, E., Fraiz, N., Yáñez, M., Laguna, R., Cano, E., Raviña, E.

Chem. Pharm. Bull., 2002, 50, 1574-1577. https://www.jstage.jst.go.jp/article/cpb/50/12/50_12_1574/_article


Palladium-Catalysed Synthesis of 6-Phenyl-5-substituted-3(2H)-pyridazinones Asissted by a Retro-Ene Transformation.

Coelho, A., Raviña, E., Sotelo, E.

Synlett, 2002, 2062-2064. https://www.thieme-connect.com/products/ejournals/abstract/10.1055/s-2002-35567


Efficient Arylation at 5 Position of the 6-phenyl-3(2H)-pyridazinone System Using a Suzuki-Type Cross-Coupling Reaction.

Coelho, E., Sotelo, E., Estévez, I., Raviña, E.

Synthesis, 2001, 871-876. http://www.xiuzhengrd.com/ejournals/pdf/synthesis/doi/10.1055/s-2001-13409.pdf


Efficient and Selective Deprotection of Pharmacologically Useful 2-MOM-pyridazinones Using Lewis Acids

Sotelo, E., Coelho, A., Raviña, E.

Tetrahedron Letters, 2001, 42, 8633-8636. https://www.sciencedirect.com/science/article/pii/S0040403901018986


Efficient Aromatization of 4,5-dihydro-3(2H)-Pyridazinones Substituted at 5-Position by Using Anhydrous Copper (II) Chloride.

Sotelo, E., Raviña, E.

Synth. Commun., 2000, 30, 1-7. https://www.tandfonline.com/doi/abs/10.1080/00397910008087285


Synthesis and Conformational Study of Novel 4-Aryl-2,5-dioxo-8-phenylpyrido[2,3-d]pyridazines

Pita, B., Sotelo, E., Suárez, M., Raviña, E., Ochoa, E., Verdecia, Y., Novoa, H., Blaton, N., De Ranter, C., Peeters, O.

Tetrahedron, 2000, 56, 2473-2479. https://www.sciencedirect.com/science/article/pii/S004040200000082X


Highly Efficient Synthesis of 4-Cyano-6-Phenyl-5-Substituted-3(2H)-Pyridazinones a New Family of Platelets Aggregation Inhibitors.

Sotelo, E., Pita, B., Raviña, E.

Tetrahedron Letters, 2000, 41, 2863-2866. https://www.sciencedirect.com/science/article/pii/S0040403900002604


Synthesis of Polyfunctionally Pyridazine Derivatives Using a Solvent free Microwave Assisted Method.

Sotelo, E., Mocelo, R., Suárez, M., Loupy, A.

Synth. Commun., 1997, 27, 2419-2423. https://www.tandfonline.com/doi/abs/10.1080/00397919708004105


An Easy and Efficient Microwave-Assisted Method to obtain 1-(4-Bromophenacyl) Azoles in Dry Media

Pérez, E., Sotelo, E., Mocelo, R., Pérez, R., Suárez, M., Autié, E., Loupy, A.

Heterocycles, 1996, 43, 539-543. https://www.heterocycles.jp/newlibrary/payments/form/06053/PDF


ComBioMed Research Group
Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CIQUS) y Departamento de Química Orgánica. Facultad de Farmacia.
Universidad de Santiago de Compostela. Campus Vida. 15782.
Santiago de Compostela. Spain.
Tel. 881 815732
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