Departamento de Química Orgánica
Departamento
Universitat de Barcelona
Barcelona, EspañaPublicacións en colaboración con investigadores/as de Universitat de Barcelona (40)
2024
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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
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Progress on the development of Class A GPCR-biased ligands
British Journal of Pharmacology
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Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies
Computational and Structural Biotechnology Journal, Vol. 25, pp. 61-74
2023
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A Robust and Efficient FRET-Based Assay for Cannabinoid Receptor Ligands Discovery
Molecules, Vol. 28, Núm. 24
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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
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Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
RSC Chemical Biology, Vol. 4, Núm. 7, pp. 486-493
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Pharmacological insights emerging from the characterization of a large collection of synthetic cannabinoid receptor agonists designer drugs
Biomedicine and Pharmacotherapy, Vol. 164
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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
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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
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SuPepMem: A database of innate immune system peptides and their cell membrane interactions
Computational and Structural Biotechnology Journal, Vol. 20, pp. 874-881
2021
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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
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Similarities and differences upon binding of naturally occurring Δ9-tetrahydrocannabinol-derivatives to cannabinoid CB1 and CB2 receptors
Pharmacological Research, Vol. 174
2018
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Palladium-catalyzed cocyclotrimerization of arynes with a pyramidalized alkene
Chemical Communications, Vol. 54, Núm. 47, pp. 5996-5999
2017
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Special issue: Adenosine receptors
Molecules
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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
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Synthesis and characterization of a new bivalent ligand combining caffeine and docosahexaenoic acid
Molecules, Vol. 22, Núm. 3
2016
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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
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High-affinity sequence-selective DNA binding by iridium(III) polypyridyl organometallopeptides
Chemical Communications, Vol. 52, Núm. 6, pp. 1234-1237
2015
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Hydrolysis of imidazolidine ligands mediated by CuII: Mononuclear, tetranuclear and 1D CuII-amine complexes
Polyhedron, Vol. 100, pp. 49-58
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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