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

Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway ofMycobacterium tuberculosis

(2011) Marcio V. B. Dias et al.   BIOCHEMICAL JOURNAL

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors

(2011) Lorena Tizón et al.   JOURNAL OF MEDICINAL CHEMISTRY

The challenge of new drug discovery for tuberculosis

(2011) Anil Koul et al.   NATURE

Synthesis and Evaluation of Potent Ene-yne Inhibitors of Type II Dehydroquinases as Tuberculosis Drug Leads

(2010) Anh Thu Tran et al.   ChemMedChem

Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2-Benzyl-3-dehydroquinic Acids

(2010) Antonio Peón et al.   ChemMedChem

Efficient Synthesis of Benzothiophenes by an Unusual Palladium-Catalyzed Vinylic CS Coupling

(2009) Christopher S. Bryan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis and Biological Evaluation of New Nanomolar Competitive Inhibitors ofHelicobacter pyloriType II Dehydroquinase. Structural Details of the Role of the Aromatic Moieties with Essential Residues‡

(2009) Verónica F. V. Prazeres et al.   JOURNAL OF MEDICINAL CHEMISTRY

Competitive Inhibitors ofHelicobacter pylori Type II Dehydroquinase: Synthesis, Biological Evaluation, and NMR Studies

(2008) Cristina Sánchez-Sixto et al.   ChemMedChem

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS