Cefiderocol susceptibility endows hope in treating carbapenem-resistant <i>Pseudomonas aeruginosa</i> : insights from <i>in vitro</i> and <i>in silico</i> evidence
Soumya Basu, Gayathri Ashok, Soumyadip Ghosh, Sudha Ramaiah, Balaji Veeraraghavan, Anand Anbarasu
Abstract
) to β-lactamases than the other β-lactam antibiotics. The molecular dynamics simulations and molecular mechanics Poisson Boltzmann surface area calculations further indicated energetically favorable binding for cefiderocol with PBP3 proteins. The study gave structural insight into emerging non-polar amino acid substitutions in PBP3 causing XDR and recommends prioritizing available antibiotics based on multi-target affinities to overcome challenges imposed by target-protein mutations.
Topics & Concepts
Pseudomonas aeruginosaIn silicoMicrobiologyCarbapenemPenicillinCephalosporinIn vitroBiologyPseudomonasChemistryAntibioticsBacteriaComputational biologyBiochemistryGeneticsGeneAntibiotic Resistance in BacteriaAntibiotics Pharmacokinetics and EfficacyPneumonia and Respiratory Infections