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Articles 36 records found  previous11 - 20nextend  jump to record: Search took 0.00 seconds. 
11.
10 p, 1.1 MB Using machine learning tools for protein database biocuration assistance / König, Caroline (Universitat Politècnica de Catalunya) ; Shaim, Ilmira (Universitat Politècnica de Catalunya) ; Vellido, Alfredo (Universitat Politècnica de Catalunya) ; Romero, Enrique (Universitat Politècnica de Catalunya) ; Alquézar, René (Universitat Politècnica de Catalunya) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública)
Biocuration in the omics sciences has become paramount, as research in these fields rapidly evolves towards increasingly data-dependent models. As a result, the management of web-accessible publicly-available databases becomes a central task in biological knowledge dissemination. [...]
2018 - 10.1038/s41598-018-28330-z
Scientific reports, Vol. 8 (july 2018)  
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12.
9 p, 5.8 MB Statistics for the analysis of molecular dynamics simulations : providing P values for agonist-dependent GPCR activation / Bruzzese, Agustín (Centro de Investigación Biomédica en Red de Salud Mental) ; Dalton, James A. R. (Centro de Investigación Biomédica en Red de Salud Mental) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Departament de Pediatria, Obstetrícia i Ginecologia i Medicina Preventiva i Salut Pública)
Molecular dynamics (MD) is the common computational technique for assessing efficacy of GPCR-bound ligands. Agonist efficacy measures the capability of the ligand-bound receptor of reaching the active state in comparison with the free receptor. [...]
2020 - 10.1038/s41598-020-77072-4
Scientific reports, Vol. 10 (november 2020)  
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13.
24 p, 14.0 MB Structural Assessment of Agonist Efficacy in the μ-Opioid Receptor : Morphine and Fentanyl Elicit Different Activation Patterns / Ricarte, Adrián (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Dalton, James A. R.. (Parc Taulí Hospital Universitari. Institut d'Investigació i Innovació Parc Taulí (I3PT)) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
Over the past two decades, the opioid epidemic in the United States and Canada has evidenced the need for a better understanding of the molecular mechanisms of medications used to fight pain. Morphine and fentanyl are widely used in opiate-mediated analgesia for the treatment of chronic pain. [...]
2021 - 10.1021/acs.jcim.0c00890
Journal of Chemical Information and Modeling, Vol. 61 Núm. 3 (22 2021) , p. 1251-1274
2 documents
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14.
4 p, 810.0 KB Mètodes computacionals ajuden a trobar llocs d'unió a fàrmacs en receptors cel·lulars / Renault, Pedro (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
La disfunció dels receptors acoblats a proteïna G, coneguts com a GPCRs, s'associa a desordres neurològics, cardíacs i psiquiàtrics, entre altres. Els fàrmacs que es dirigeixen a un GPCR específic poden causar efectes no desitjats, ja que generalment s'uneixen a un lloc al receptor que està bastant conservat evolutivament; per tant, aquests fàrmacs poden acabar interactuant amb altres diferents de l'objectiu original. [...]
La disfunción de los receptores acoplados a proteína G, conocidos como GPCRs, se asocia a desarreglos neurológicos, cardíacos y psiquiátricos, entre otros. Los fármacos que se dirigen a un GPCR específico pueden causar efectos no deseados, ya que generalmente se unen a un sitio en el receptor que está bastante conservado evolutivamente; por lo tanto, estos fármacos pueden terminar interactuando con otros distintos del objetivo original. [...]
The dysfunction of G protein-coupled receptors, known as GPCRs, is associated with neurological, cardiac, and psychiatric disorders, among others. Drugs that target a specific GPCR can cause unwanted effects, since they usually bind to a site in the receptor which is quite evolutionarily conserved; therefore these drugs may end up interacting with other, distinct from the original target. [...]
2021
UAB divulga, Juny 2021
3 documents
Detailed record - Creative Commons
15.
21 p, 2.9 MB Dynamical Correlations Reveal Allosteric Sites in G Protein-Coupled Receptors / Renault, Pedro (Parc Taulí Hospital Universitari. Institut d'Investigació i Innovació Parc Taulí (I3PT)) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
G protein-coupled Receptors (GPCRs) play a central role in many physiological processes and, consequently, constitute important drug targets. In particular, the search for allosteric drugs has recently drawn attention, since they could be more selective and lead to fewer side effects. [...]
2021 - 10.3390/ijms22010187
International journal of molecular sciences, Vol. 22 Núm. 1 (2021) , p. 187  
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16.
19 p, 352.1 KB Representation Learning for Class C G Protein-Coupled Receptors Classification / Cruz-Barbosa, Raúl (Technological University of the Mixteca Region. Computer Science Institute) ; Ramos-Pérez, Erik-German (Technological University of the Mixteca Region. Computer Science Institute) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
G protein-coupled receptors (GPCRs) are integral cell membrane proteins of relevance for pharmacology. The complete tertiary structure including both extracellular and transmembrane domains has not been determined for any member of class C GPCRs. [...]
2018 - 10.3390/molecules23030690
Molecules, Vol. 23 Núm.3 (march 2018)  
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17.
39 p, 7.8 MB Insights into adenosine A receptor activation through cooperative modulation of agonist and allosteric lipid interactions / Bruzzese, Agustín (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Dalton, James A. R.. (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
UDTAULÍ.
The activation process of G protein-coupled receptors (GPCRs) has been extensively studied, both experimentally and computationally. In particular, Molecular Dynamics (MD) simulations have proven useful in exploring GPCR conformational space. [...]
2020 - 10.1371/journal.pcbi.1007818
PLoS computational biology, Vol. 16 (april 2020)  
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18.
11 p, 711.6 KB Exploring the Activation Mechanism of the mGlu5 Transmembrane Domain / Lans, Isaias (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Díaz Sanzo, Óscar (Parc Taulí Hospital Universitari. Institut d'Investigació i Innovació Parc Taulí (I3PT)) ; Dalton, James A. R.. (Parc Taulí Hospital Universitari. Institut d'Investigació i Innovació Parc Taulí (I3PT)) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
UDTAULÍ.
As a class C GPCR and regulator of synaptic activity, mGlu5 is an attractive drug target, potentially offering treatment for several neurologic and psychiatric disorders. As little is known about the activation mechanism of mGlu5 at a structural level, potential of mean force calculations linked to molecular dynamics simulations were performed on the mGlu5 transmembrane domain crystal structure to explore various internal mechanisms responsible for its activation. [...]
2020 - 10.3389/fmolb.2020.00038
Frontiers in Molecular Biosciences, Vol. 7 (march 2020)  
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19.
25 p, 3.0 MB Distinct dopamine D2 receptor antagonists differentially impact D2 receptor oligomerization / Wouters, Elise (Laboratory of Toxicology. Department of Bioanalysis. Faculty of Pharmaceutical Sciences. Ghent University) ; Ricarte Marín, Adrián (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Dalton, James A. R.. (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Stove, Christophe. (Laboratory of Toxicology. Department of Bioanalysis. Faculty of Pharmaceutical Sciences. Ghent University)
Dopamine D receptors (DR) are known to form transient homodimer complexes, of which the increased formation has already been associated with development of schizophrenia. Pharmacological targeting and modulation of the equilibrium of these receptor homodimers might lead to a better understanding of the critical role played by these complexes in physiological and pathological conditions. [...]
2019 - 10.3390/ijms20071686
International journal of molecular sciences, Vol. 20 Núm. 7 (january 2019) , p. 1686  
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20.
3 p, 404.9 KB Descrit el possible mecanisme d'activació del receptor cannabinoide 1 / Díaz Sanzo, Óscar (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Dalton, James A. R.. (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
Un estudi, publicat a la revista Journal of Medicinal Chemistry pels investigadors Óscar Díaz, James Dalton i Jesús Giraldo de l'Institut de Neurociències, descriu el possible mecanisme d'activació del receptor cannabinoide 1 (CB1). [...]
Un estudio, publicado en la revista Journal of Medicinal Chemistry por los investigadores Óscar Díaz, James Dalton y Jesús Giraldo del Instituto de Neurociencias, describe el posible mecanismo de activación del receptor cannabinoide 1 (CB1). [...]
A study published in the Journal of Medicinal Chemistry by the Neuroscience Institute researchers Óscar Díaz, James Dalton and Jesús Giraldo, describes the potential activation mechanism of cannabinoid receptor 1 (CB1). [...]
2019
UAB divulga, Octubre 2019, p. 1-3
3 documents
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Articles : 36 records found   previous11 - 20nextend  jump to record:
See also: similar author names
1 Giraldo, Javier
55 Giraldo, Jesus
55 Giraldo, Jesús
55 Giraldo, Jesús
7 Giraldo, Jesús,
1 Giraldo, Jesús.
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