0000000000019004

AUTHOR

Laura Cendron

showing 2 related works from this author

Targeting the Class A Carbapenemase GES-5 via Virtual Screening

2020

The worldwide spread of &beta

Models MolecularDrugantibiotic resistanceGES-5Antibiotic resistancemedia_common.quotation_subjectIn silicoDrug Evaluation Preclinicallcsh:QR1-502Guyana extended-spectrum-β-lactamaseMicrobial Sensitivity TestsComputational biologyBiologyBiochemistrybeta-LactamasesArticlelcsh:Microbiologyguyana extended-spectrum-β-lactamasecarbapenemase03 medical and health sciencesAntibiotic resistanceBacterial ProteinsDrug Resistance BacterialHumansAntibiotic resistance; GES-5; Guyana extended-spectrum-β-lactamase; carbapenemase; virtual screening; docking; noncovalent inhibitionges-5noncovalent inhibitionMolecular Biology030304 developmental biologymedia_common0303 health sciencesVirtual screening030306 microbiologyAntibiotic resistance; Carbapenemase; Docking; GES-5; Guyana extended-spectrum-β-lactamase; Noncovalent inhibition; Virtual screeningHit to leadvirtual screeningAntimicrobialAnti-Bacterial AgentsCarbapenemsdockingBiomolecules
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In silico identification and experimental validation of hits active against KPC-2 β-lactamase

2018

Bacterial resistance has become a worldwide concern, particularly after the emergence of resistant strains overproducing carbapenemases. Among these, the KPC-2 carbapenemase represents a significant clinical challenge, being characterized by a broad substrate spectrum that includes aminothiazoleoxime and cephalosporins such as cefotaxime. Moreover, strains harboring KPC-type β-lactamases are often reported as resistant to available β-lactamase inhibitors (clavulanic acid, tazobactam and sulbactam). Therefore, the identification of novel non β-lactam KPC-2 inhibitors is strongly necessary to maintain treatment options. This study explored novel, non-covalent inhibitors active against KPC-2, …

Genetics and Molecular Biology (all)Proteomics0301 basic medicineCefotaximeKlebsiella pneumoniaePathology and Laboratory MedicinePhysical ChemistryBiochemistryKlebsiella PneumoniaeDatabase and Informatics MethodsBiochemistry Genetics and Molecular Biology (all); Agricultural and Biological Sciences (all)AntibioticsKlebsiellaCatalytic DomainMedicine and Health Sciencespolycyclic compoundsDrug InteractionsCrystallographyMultidisciplinarybiologyAntimicrobialsOrganic CompoundsProteomic DatabasesChemistryPhysicsQRDrugsSulbactamCondensed Matter PhysicsBacterial PathogensChemistryBiochemistryMedical MicrobiologyPhysical SciencesCrystal StructureMedicinePathogensbeta-Lactamase InhibitorsResearch Articlemedicine.drugScienceIn silico030106 microbiologySulfonamideResearch and Analysis MethodsMicrobiologyMeropenemTazobactambeta-Lactamases03 medical and health sciencesBacterial ProteinsMicrobial ControlClavulanic acidmedicineSolid State PhysicsMicrobial PathogensPharmacologyLigand efficiencyChemical BondingBacteriaOrganic ChemistryChemical CompoundsOrganismsBiology and Life SciencesHydrogen Bondingbiochemical phenomena metabolism and nutritionbiology.organism_classificationbacterial infections and mycosesAmidesBiological Databases030104 developmental biologyAgricultural and Biological Sciences (all)
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