Publications by the researcher in collaboration with José Manuel Otero Casas (12)

2023

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

    Frontiers in Molecular Biosciences, Vol. 10

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. 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

  2. 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

2010

  1. Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues

    Journal of Medicinal Chemistry, Vol. 53, Núm. 1, pp. 191-200

  2. Understanding the key factors that control the inhibition of type II dehydroquinase by (2R)-2-benzyl-3-dehydroquinic acids

    ChemMedChem, Vol. 5, Núm. 10, pp. 1726-1733