Publicacións en colaboración con investigadores/as de Centro Nacional de Biotecnología (13)

2023

  1. Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme—A molecular insight †

    Frontiers in Molecular Biosciences, Vol. 10

2020

  1. Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product

    Chemistry - A European Journal, Vol. 26, Núm. 36, pp. 8035-8044

2019

  1. Hydroxylammonium derivatives for selective active-site lysine modification in the anti-virulence bacterial target DHQ1 enzyme

    Organic Chemistry Frontiers, Vol. 6, Núm. 17, pp. 3127-3135

2015

  1. Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct

    Journal of the American Chemical Society, Vol. 137, Núm. 29, pp. 9333-9343

  2. Irreversible covalent modification of type i dehydroquinase with a stable Schiff base

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 3, pp. 706-716

2014

  1. Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors

    Journal of Medicinal Chemistry, Vol. 57, Núm. 8, pp. 3494-3510

  2. Insights into substrate binding and catalysis in bacterial type i dehydroquinase

    Biochemical Journal, Vol. 462, Núm. 3, pp. 415-424

2013

  1. Design, synthesis, and structural analysis of turn modified cyclo-(αβ3αβ2α)2 peptide derivatives toward crystalline hexagon-shaped cationic nanochannel assemblies

    Crystal Growth and Design, Vol. 13, Núm. 10, pp. 4355-4367

  2. Mechanistic basis of the inhibition of type II dehydroquinase by (2 S)- and (2 R)-2-benzyl-3-dehydroquinic acids

    ACS Chemical Biology, Vol. 8, Núm. 3, pp. 568-577

  3. Mycobacterium tuberculosis shikimate kinase inhibitors: Design and simulation studies of the catalytic turnover

    Journal of the American Chemical Society, Vol. 135, Núm. 33, pp. 12366-12376

2011

  1. A prodrug approach for improving antituberculosis activity of potent mycobacterium tuberculosis type II dehydroquinase inhibitors

    Journal of Medicinal Chemistry, Vol. 54, Núm. 17, pp. 6063-6084

  2. Tetrahydrobenzothiophene Derivatives: Conformationally Restricted Inhibitors of TypeII Dehydroquinase

    ChemMedChem, Vol. 6, Núm. 2, pp. 266-272

2009

  1. α,γ-Peptide nanotube templating of one-dimensional parallel fullerene arrangements

    Journal of the American Chemical Society, Vol. 131, Núm. 32, pp. 11335-11337