Molecules · 2019 · 108 citations · 40 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsAntibacterial PharmacologyEnzyme InhibitionLead Compound DesignLigand-based DesignMolecular DockingStructure-activity Relationship AnalysisAdmet Property OptimizationAntibacterial PropertiesAntibiotic DiscoveryAntimicrobial Drug DevelopmentMolecular Docking AnalysisMolecular Docking Of InhibitorsNovel Antibacterial AgentsNovel Antibacterial Drug Discovery
A series of Schiff bases 14–25 were designed and synthesized for evaluation of their antibacterial properties against multi-drug resistant bacteria (MDRB). The antibacterial activities of Schiff bases 14–25 showed that most of the synthesized compounds displayed a significant antibacterial activity. Assessment of in silico ADMET properties (absorption, distribution, metabolism, excretion and toxicity) of Schiff bases illustrates that all derivatives showed agreement to the Lipinski’s rule of five. Further enzymatic assay aided by molecular docking study demonstrated that compound 18 is a potent inhibitor of staphylococcus aureus DNA gyrase and dihydrofolate reductase kinases. This study could be valuable in the discovery of new potent antimicrobial agents.
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Type IIA topoisomerase inhibition by a new class of antibacterial agents
B.D. Bax, Pan F. Chan, Drake S. Eggleston et al. · Nature · 2010 · 842 citations