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1.
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11 p, 2.7 MB |
Design of negative and positive allosteric modulators of the cannabinoid CB2 Receptor derived from the natural product cannabidiol
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Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Fisiologia) ;
Gonzalez, Angel (Universitat Autònoma de Barcelona. Laboratori de Medicina Computacional) ;
Sánchez-Morales, Adrià (Universitat Autònoma de Barcelona. Departament de Química) ;
Casajuana-Martin, Nil (Universitat Autònoma de Barcelona. Laboratori de Medicina Computacional) ;
Gómez-Ventura, Marc (Universitat Autònoma de Barcelona. Departament de Química) ;
Cordomí Montoya, Arnau (Universitat Autònoma de Barcelona. Laboratori de Medicina Computacional) ;
Busqué Sánchez, Félix (Universitat Autònoma de Barcelona. Departament de Química) ;
Alibes, Ramón (Universitat Autònoma de Barcelona. Departament de Química) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona. Laboratori de Medicina Computacional) ;
Franco, Rafael (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular)
Cannabidiol (CBD), the second most abundant of the active compounds found in the Cannabis sativa plant, is of increasing interest because it is approved for human use and is neither euphorizing nor addictive. [...]
2021 -  10.1021/acs.jmedchem.1c00561
Journal of Medicinal Chemistry, Vol. 64, Issue 13 (July 2021) , p. 9354-9364
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2.
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18 p, 1.7 MB |
The Expression of Cellular Prion Protein, PrPC, Favors pTau Propagation and Blocks NMDAR Signaling in Primary Cortical Neurons
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Rivas-Santisteban, Rafael (Universitat de Barcelona. Institut de Neurociències) ;
Raïch, Iu (Universitat de Barcelona. Departament de Bioquímica i Fisiologia) ;
Aguinaga Andrés, David (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Saura Antolín, Carlos (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular) ;
Franco, Rafael (Universitat de Barcelona. Facultat de Química) ;
Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Fisiologia)
Background: The N-methyl-D-aspartate receptor (NMDAR) is a target in current treatments for Alzheimer's disease (AD). The human prion protein (PrPC) has an important role in the pathophysiology of AD. [...]
2023 - 10.3390/cells12020283
Cells, Vol. 12 (january 2023)
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3.
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9 p, 5.0 MB |
A Single Point Mutation Blocks the Entrance of Ligands to the Cannabinoid CB Receptor via the Lipid Bilayer
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Casajuana-Martin, Nil (Universitat Autònoma de Barcelona) ;
Navarro Brugal, Gemma (Instituto de Salud Carlos III) ;
Gonzalez, Angel (Universitat Autònoma de Barcelona) ;
Llinas del Torrent, Claudia (Universitat Autònoma de Barcelona) ;
Gómez-Autet, Marc (Universitat Autònoma de Barcelona) ;
Quintana García, Aleix (Universitat Autònoma de Barcelona) ;
Franco, Rafael (Instituto de Salud Carlos III) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona)
Molecular dynamic (MD) simulations have become a common tool to study the pathway of ligand entry to the orthosteric binding site of G protein-coupled receptors. Here, we have combined MD simulations and site-directed mutagenesis to study the binding process of the potent JWH-133 agonist to the cannabinoid CB receptor (CBR). [...]
2022 - 10.1021/acs.jcim.2c00865
Journal of Chemical Information and Modeling, Vol. 62 (october 2022) , p. 5771-5779
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4.
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18 p, 1.7 MB |
Essential Control of the Function of the Striatopallidal Neuron by Pre-coupled Complexes of Adenosine A-Dopamine D Receptor Heterotetramers and Adenylyl Cyclase
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Ferré, Sergi (National Institutes of Health, Baltimore, United States) ;
Bonaventura, Jordi (National Institutes of Health, Baltimore, United States) ;
Zhu, Wendy (Circuit Therapeutics, Menlo Park, United States) ;
Hatcher-Solis, Candice (National Institutes of Health, Baltimore, United States) ;
Taura, Jaume (Universitat de Barcelona. Institut de Neurociències) ;
Quiroz, César (National Institutes of Health, Baltimore, United States) ;
Cai, Ning-Sheng (National Institutes of Health, Baltimore, United States) ;
Moreno, Estefanía (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Casadó-Anguera, Verònica (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Kravitz, Alexxai V. (National Institutes of Health, Bethesda, United States) ;
Thompson, Kimberly R. (Circuit Therapeutics, Inc., Menlo Park, United States) ;
Tomasi, Dardo G. (National Institutes of Health, Rockville, United States) ;
Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Fisiologia) ;
Cordomí Montoya, Arnau (Universitat Autònoma de Barcelona. Laboratori de Medicina Computacional) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona. Laboratori de Medicina Computacional) ;
Lluís, Carme (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Dessauer, Carmen W. (University of Texas Health Science Center at Houston, United States) ;
Volkow, Nora D. (National Institutes of Health, Rockville, United States) ;
Casadó, Vicent (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Ciruela, Francisco (Universitat de Barcelona. Institut de Neurociències) ;
Logothetis, Diomedes E. (Northeastern University, Boston, United States) ;
Zwilling, Daniel (Circuit Therapeutics, Inc, Menlo Park, United States)
The central adenosine system and adenosine receptors play a fundamental role in the modulation of dopaminergic neurotransmission. This is mostly achieved by the strategic co-localization of different adenosine and dopamine receptor subtypes in the two populations of striatal efferent neurons, striatonigral and striatopallidal, that give rise to the direct and indirect striatal efferent pathways, respectively. [...]
2018 - 10.3389/fphar.2018.00243
Frontiers in Pharmacology, Vol. 9 (april 2018)
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5.
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12 p, 2.5 MB |
Evidence for functional pre-coupled complexes of receptor heteromers and adenylyl cyclase
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Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Cordomí Montoya, Arnau (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Casadó-Anguera, Verònica (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Moreno, Estefanía (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Cai, Ning-Sheng (National Institutes of Health. Integrative Neurobiology Section, National Institute on Drug Abuse, USA) ;
Cortés, Antoni (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Canela, Enric I. (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Dessauer, Carmen W. (University of Texas Health Science Center, USA) ;
Casadó, Vicent (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Lluís, Carme (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Ferré, Sergi (National Institutes of Health. Integrative Neurobiology Section, National Institute on Drug Abuse)
G protein-coupled receptors (GPCRs), G proteins and adenylyl cyclase (AC) comprise one of the most studied transmembrane cell signaling pathways. However, it is unknown whether the ligand-dependent interactions between these signaling molecules are based on random collisions or the rearrangement of pre-coupled elements in a macromolecular complex. [...]
2018 - 10.1038/s41467-018-03522-3
Nature communications, Vol. 9 (march 2018)
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6.
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15 p, 3.6 MB |
Cross-communication between G and G in a G-protein-coupled receptor heterotetramer guided by a receptor C-terminal domain
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Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Cordomí Montoya, Arnau (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Brugarolas, Marc (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Moreno, Estefanía (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Aguinaga Andrés, David (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Pérez-Benito, Laura (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Ferré, Sergi (National Institutes of Health, Baltimore, USA) ;
Cortés, Antoni (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Casadó, Vicent (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Mallol, Josefa (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Canela, Enric I. (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Lluís, Carme (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
McCormick, Peter J. (Universitat de Barcelona) ;
Franco, Rafael (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular)
G-protein-coupled receptor (GPCR) heteromeric complexes have distinct properties from homomeric GPCRs, giving rise to new receptor functionalities. Adenosine receptors (AR or AR) can form AR-AR heteromers (A-AHet), and their activation leads to canonical G-protein-dependent (adenylate cyclase mediated) and -independent (β-arrestin mediated) signaling. [...]
2018 - 10.1186/s12915-018-0491-x
BMC biology, Vol. 16 (february 2018)
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7.
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16 p, 2.7 MB |
Adenosine A2A Receptor Antagonists Affects NMDA Glutamate Receptor Function. Potential to Address Neurodegeneration in Alzheimer's Disease
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Franco, Rafael (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Rivas-Santisteban, Rafael (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Casanovas, Mireia (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Lillo, Alejandro (Universitat de Barcelona. Departament de Bioquímica i Fisiologia) ;
Saura Antolín, Carlos (Universitat Autònoma de Barcelona. Institut de Neurociències) ;
Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Fisiologia) ;
Universitat Autònoma de Barcelona.
Departament de Bioquímica i de Biologia Molecular
(1) Background. N-methyl d-aspartate (NMDA) ionotropic glutamate receptor (NMDAR), which is one of the main targets to combat Alzheimer's disease (AD), is expressed in both neurons and glial cells. The aim of this paper was to assess whether the adenosine A2A receptor (A2AR), which is a target in neurodegeneration, may affect NMDAR functionality. [...]
2020 - 10.3390/cells9051075
Cells, Vol. 9 Núm. 5 (april 2020)
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8.
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10 p, 2.0 MB |
Experimental and computational analysis of biased agonism on full-length and a C-terminally truncated adenosine A receptor
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Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Fisiologia) ;
Gonzalez, Angel (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Campanacci, Stefano (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Rivas-Santisteban, Rafael (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Reyes-Resina, Irene (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Casajuana-Martin, Nil (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Cordomí Montoya, Arnau (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Franco, Rafael (Universitat de Barcelona. Facultat de Química)
Biased agonism, the ability of agonists to differentially activate downstream signaling pathways by stabilizing specific receptor conformations, is a key issue for G protein-coupled receptor (GPCR) signaling. [...]
2020 - 10.1016/j.csbj.2020.09.028
Computational and Structural Biotechnology Journal, Vol. 18 (september 2020) , p. 2723-2732
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9.
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4 p, 1.7 MB |
Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB Receptor
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Morales, Paula (Spanish Research Council) ;
Navarro Brugal, Gemma (Universitat de Barcelona) ;
Gómez-Autet, Marc (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Redondo, Laura (Spanish Research Council) ;
Fernández-Ruiz, Javier (Universidad Complutense de Madrid) ;
Pérez-Benito, Laura (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Cordomí Montoya, Arnau (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Pardo Carrasco, Leonardo (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública) ;
Franco, Rafael (Universitat de Barcelona) ;
Jagerovic, Nadine (Spanish Research Council)
Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in medicinal chemistry. We have designed, synthesized and functionally characterized the first bitopic ligands for the CB receptor. [...]
2020 - 10.1002/chem.202003389
Chemistry, Vol. 26 (november 2020) , p. 15839-15842
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10.
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14 p, 4.3 MB |
N -Methyl--Aspartate Receptor Link to the MAP Kinase Pathway in Cortical and Hippocampal Neurons and Microglia Is Dependent on Calcium Sensors and Is Blocked by α-Synuclein, Tau, and Phospho-Tau in Non-transgenic and Transgenic APP Mice
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Franco, Rafael (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Aguinaga Andrés, David (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Reyes Resina, Irene (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Canela, Enric I. (Universitat de Barcelona. Departament de Bioquímica i Biomedicina Molecular) ;
Lillo Jové, Jaume (Universitat de Barcelona. Departament de Bioquímica i Biologia Molecular) ;
Tarutani, Airi (Tokyo Metropolitan Institute of Medical Science. Department of Dementia and Higher Brain Function) ;
Hasegawa, Masato (Tokyo Metropolitan Institute of Medical Science. Department of Dementia and Higher Brain Function) ;
del Ser Badia, Anna (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular) ;
del Rio, José A. (Universitat de Barcelona. Departament de Biologia Cel·lular, Fisiologia i Immunologia) ;
Kreutz, Michael R. (University Medical Center Hamburg-Eppendorf) ;
Saura Antolín, Carlos (Universitat Autònoma de Barcelona. Institut de Neurociències) ;
Navarro Brugal, Gemma (Universitat de Barcelona. Departament de Bioquímica i Biologia Molecular)
N -methyl--aspartate receptors (NMDARs) respond to glutamate to allow the influx of calcium ions and the signaling to the mitogen-activated protein kinase (MAPK) cascade. Both MAPK- and Ca 2+ -mediated events are important for both neurotransmission and neural cell function and fate. [...]
2018 - 10.3389/fnmol.2018.00273
Frontiers in molecular neuroscience, Vol. 11 (August 2018) , art. 273
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