title: Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.
abstract: A small set of boronic acids acting as low nanomolar inhibitors of AmpC beta-lactamase were designed and synthesized in the effort to improve affinity, pharmacokinetic properties, and to provide a valid lead compound. X-ray crystallography revealed the binary complex of the best inhibitor bound to the enzyme, highlighting possibilities for its further rational derivatization and chemical optimization.
authors.affiliation: Dipartimento di Scienze Farmaceutiche, Università degli Studi di Modena e Reggio Emilia, Via Campi 183, 41126 Modena, Italy. tondid@unimore.it
authors.forename: Donatella
authors.initials: D
authors.lastname: Tondi
authors.forename: Samuele
authors.initials: S
authors.lastname: Calò
authors.forename: Brian K
authors.initials: BK
authors.lastname: Shoichet
authors.forename: Maria Paola
authors.initials: MP
authors.lastname: Costi
mesh_terms: D001426:Bacterial Proteins / Q000037:antagonists & inhibitors*; D001897:Boronic Acids / Q000737:chemistry / Q000494:pharmacology*; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D008958:Models, Molecular; D011487:Protein Conformation; D065093:beta-Lactamase Inhibitors; D001618:beta-Lactamases
chemical_list: D001426:Bacterial Proteins; D001897:Boronic Acids; D004791:Enzyme Inhibitors; D065093:beta-Lactamase Inhibitors; C048795:AmpC beta-lactamases; D001618:beta-Lactamases; C010686:benzeneboronic acid
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