6-Halopyridylmethylidene Penicillin-Based Sulfones Efficiently Inactivate the Natural Resistance of Pseudomonas aeruginosa to β-Lactam Antibiotics.
Juan Carlos Vázquez-UchaDiana RodríguezCristina Lasarte-MonterrubioEmilio LenceJorge Arca-SuarezMaría ManeiroEva GatoAstrid PerezMarta Martínez-GuitiánCarlos JuanAntonio OliverGerman BouConcepción González-BelloAlejandro BeceiroPublished in: Journal of medicinal chemistry (2021)
Pseudomonas aeruginosa, a major cause of nosocomial infections, is considered a paradigm of antimicrobial resistance, largely due to hyperproduction of chromosomal cephalosporinase AmpC. Here, we explore the ability of 6-pyridylmethylidene penicillin-based sulfones 1-3 to inactivate the AmpC β-lactamase and thus rescue the activity of the antipseudomonal ceftazidime. These compounds increased the susceptibility to ceftazidime in a collection of clinical isolates and PAO1 mutant strains with different ampC expression levels and also improved the inhibition kinetics relative to avibactam, displaying a slow deacylation rate and involving the formation of an indolizine adduct. Bromide 2 was the inhibitor with the lowest KI (15.6 nM) and the highest inhibitory efficiency (kinact/KI). Computational studies using diverse AmpC enzymes revealed that the aromatic moiety in 1-3 targets a tunnel-like site adjacent to the catalytic serine and induces the folding of the H10 helix, indicating the potential value of this not-always-evident pocket in drug design.
Keyphrases
- pseudomonas aeruginosa
- gram negative
- antimicrobial resistance
- multidrug resistant
- acinetobacter baumannii
- klebsiella pneumoniae
- escherichia coli
- cystic fibrosis
- biofilm formation
- poor prognosis
- neoadjuvant chemotherapy
- emergency department
- copy number
- single cell
- molecular dynamics simulations
- gene expression
- squamous cell carcinoma
- methicillin resistant staphylococcus aureus
- protein kinase
- dna binding
- crystal structure
- anterior cruciate ligament reconstruction