Publications in collaboration with researchers from Universitat de Barcelona (40)

2024

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

    Biomedicine and Pharmacotherapy, Vol. 173

  2. Progress on the development of Class A GPCR-biased ligands

    British Journal of Pharmacology

  3. Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies

    Computational and Structural Biotechnology Journal, Vol. 25, pp. 61-74

2023

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

    Molecules, Vol. 28, Núm. 24

  2. Human O-GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics

    ACS Catalysis, Vol. 13, Núm. 20, pp. 13672-13678

  3. Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA

    RSC Chemical Biology, Vol. 4, Núm. 7, pp. 486-493

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

    Biomedicine and Pharmacotherapy, Vol. 164

  5. Uncovering the mechanisms of cyclic peptide self-assembly in membranes with the chirality-aware MA(R/S)TINI forcefield

    Journal of Colloid and Interface Science, Vol. 642, pp. 84-99

2022

  1. Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

    International Journal of Molecular Sciences, Vol. 23, Núm. 6

  2. SuPepMem: A database of innate immune system peptides and their cell membrane interactions

    Computational and Structural Biotechnology Journal, Vol. 20, pp. 874-881

2021

  1. Potent and Subtype-Selective Dopamine D2Receptor Biased Partial Agonists Discovered via an Ugi-Based Approach

    Journal of Medicinal Chemistry, Vol. 64, Núm. 12, pp. 8710-8726

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

    Pharmacological Research, Vol. 174

2018

  1. Palladium-catalyzed cocyclotrimerization of arynes with a pyramidalized alkene

    Chemical Communications, Vol. 54, Núm. 47, pp. 5996-5999

2017

  1. Special issue: Adenosine receptors

    Molecules

  2. Straightforward Synthesis of a Vicinal Double-Bridgehead Iodo Trimethylsilyl Octacycle: Unprecedented Lack of Reactivity of the Silyl Group in the Presence of Fluoride Anions

    European Journal of Organic Chemistry, Vol. 2017, Núm. 12, pp. 1594-1603

  3. Synthesis and characterization of a new bivalent ligand combining caffeine and docosahexaenoic acid

    Molecules, Vol. 22, Núm. 3

2016

  1. Helical sense selective domains and enantiomeric superhelices generated by Langmuir-Schaefer deposition of an axially racemic chiral helical polymer

    Nanoscale, Vol. 8, Núm. 6, pp. 3362-3367

  2. High-affinity sequence-selective DNA binding by iridium(III) polypyridyl organometallopeptides

    Chemical Communications, Vol. 52, Núm. 6, pp. 1234-1237

2015

  1. Hydrolysis of imidazolidine ligands mediated by CuII: Mononuclear, tetranuclear and 1D CuII-amine complexes

    Polyhedron, Vol. 100, pp. 49-58

  2. Increasing the effective energy barrier promoted by the change of a counteranion in a Zn-Dy-Zn SMM: Slow relaxation via the second excited state

    Chemical Communications, Vol. 51, Núm. 62, pp. 12353-12356