Search results for "Hit to lead"

showing 2 items of 2 documents

Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.

2019

Because of its essential role as a bacterial virulence factor, enzyme sortase A (SrtA) has become an attractive target for the development of new antivirulence drugs against Gram-positive infections. Here we describe 27 compounds identified as covalent inhibitors of

0301 basic medicineStaphylococcus aureusMagnetic Resonance SpectroscopyAntivirulenceVirulence Factors030106 microbiologySmall Molecule Libraries03 medical and health sciencesMiceBacterial ProteinsCatalytic DomainDrug DiscoveryAnimalschemistry.chemical_classificationBinding SitesChemistryHit to leadFibroblastsAminoacyltransferasesAnti-Bacterial AgentsMolecular Docking SimulationCysteine Endopeptidases030104 developmental biologyInfectious DiseasesEnzymeBiochemistryCovalent bondSortase ABacterial virulenceNIH 3T3 CellsStructure basedACS infectious diseases
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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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