Publications by the researcher in collaboration with Antonio Peón López (9)

2017

  1. Reducing the Flexibility of Type II Dehydroquinase for Inhibition: A Fragment-Based Approach and Molecular Dynamics Study

    ChemMedChem, Vol. 12, Núm. 18, pp. 1512-1524

2015

  1. 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

  3. Mechanistic insight into the reaction catalysed by bacterial type II dehydroquinases

    Biochemical Journal, Vol. 458, Núm. 3, pp. 547-557

2013

  1. Comparative Binding Energy (COMBINE) Analysis for Understanding the Binding Determinants of TypeII Dehydroquinase Inhibitors

    ChemMedChem, Vol. 8, Núm. 5, pp. 740-747

  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

2012

  1. Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: Factors influencing their inhibition potency

    Organic and Biomolecular Chemistry, Vol. 10, Núm. 18, pp. 3662-3676

2010

  1. 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