Publicacións en colaboración con investigadores/as de Universitat Pompeu Fabra (30)

2023

  1. A continuous in silico learning strategy to identify safety liabilities in compounds used in the leather and textile industry

    Archives of Toxicology, Vol. 97, Núm. 4, pp. 1091-1111

2019

  1. EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology

    SLAS Discovery, Vol. 24, Núm. 3, pp. 398-413

2017

  1. Serotonin 2A receptor disulfide bridge integrity is crucial for ligand binding to different signalling states but not for its homodimerization

    European Journal of Pharmacology, Vol. 815, pp. 138-146

  2. Synthesis, pharmacological evaluation and molecular docking of pyranopyrazole-linked 1,4-dihydropyridines as potent positive inotropes

    Molecular Diversity, Vol. 21, Núm. 3, pp. 533-546

2016

  1. Open PHACTS computational protocols for: In silico target validation of cellular phenotypic screens: Knowing the knowns

    MedChemComm, Vol. 7, Núm. 6, pp. 1237-1244

  2. Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond

    PLoS Pathogens, Vol. 12, Núm. 7

2015

  1. Detection of new biased agonists for the serotonin 5-ht2a receptor: modeling and experimental validation

    Molecular Pharmacology, Vol. 87, Núm. 4, pp. 740-746

2014

  1. Application of BRET for studying G protein-coupled receptors

    Mini-Reviews in Medicinal Chemistry, Vol. 14, Núm. 5, pp. 411-425

  2. Modulation of cAMP-specific PDE without emetogenic activity: New sulfide-like PDE7 inhibitors

    Journal of Medicinal Chemistry, Vol. 57, Núm. 20, pp. 8590-8607

  3. Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles

    European Journal of Medicinal Chemistry, Vol. 77, pp. 91-95

2013

  1. Scientific requirements for the next-generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS

    Computational Chemogenomics (Pan Stanford Publishing Pte. Ltd.), pp. 213-242

2012

  1. New chromene scaffolds for adenosine A2A receptors: Synthesis, pharmacology and structure-activity relationships

    European Journal of Medicinal Chemistry, Vol. 54, pp. 303-310

2011

  1. Sensitization to MDMA locomotor effects and changes in the functionality of 5-HT2A and D2 receptors in mice

    Behavioural Pharmacology, Vol. 22, Núm. 4, pp. 362-369

2010

  1. A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints

    Molecular Pharmacology, Vol. 77, Núm. 2, pp. 149-158

  2. Synthesis, 3D-QSAR, and structural modeling of benzolactam derivatives with binding affinity for the D2and D3 receptors

    ChemMedChem, Vol. 5, Núm. 8, pp. 1300-1317

2009

  1. Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands

    Bioorganic and Medicinal Chemistry Letters, Vol. 19, Núm. 6, pp. 1773-1778

2008

  1. 1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor

    Bioorganic and Medicinal Chemistry, Vol. 16, Núm. 6, pp. 2852-2869

  2. Corrigendum to "1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor" [Bioorg. Med. Chem. 16 (2008) 2852-2869] (DOI:10.1016/j.bmc.2008.01.002)

    Bioorganic and Medicinal Chemistry

  3. Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics

    Journal of Medicinal Chemistry, Vol. 51, Núm. 19, pp. 6085-6094

2007

  1. Multistructure 3D-QSAR studies on a series of conformationally constrained butyrophenones docked into a new homology model of the 5-HT2A receptor

    Journal of Medicinal Chemistry, Vol. 50, Núm. 14, pp. 3242-3255