Journal of Medicinal Chemistry · 2017 · 62 citations · 29 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryPharmacophore ModelingAntibacterial PharmacologyEfflux-mediated ResistancePharmacophore MappingPharmacophore ScreeningPharmacophore-based Lead DiscoveryStructure-based Pharmacophore ModelingAntibiotic Efflux ResistanceBacterial Efflux PumpsDrug Efflux PumpsLigand-based Pharmacophore DesignLigand-based Pharmacophore GenerationLigand-based Pharmacophore ScreeningMultidrug Efflux PumpsPharmacophore Model Construction
An intriguing opportunity to address antimicrobial resistance is represented by the inhibition of efflux pumps. Focusing on NorA, the most important efflux pump of Staphylococcus aureus, an efflux pump inhibitors (EPIs) library was used for ligand-based pharmacophore modeling studies. By exploitation of the obtained models, an in silico drug repositioning approach allowed for the identification of novel and potent NorA EPIs.
29