Journal of Heterocyclic Chemistry · 2019 · 27 citations · 36 references
PharmacyChemistryMedicinal ChemistryDrug DesignDrug DiscoveryStructure-activity RelationshipsAntibacterial AgentsEnzyme InhibitionLigand-based DesignMolecular DockingProtein-ligand DockingStructure-activity Relationship AnalysisAntibacterial Drug DevelopmentAntibiotic DiscoveryAntimicrobial Drug DevelopmentClick ChemistryDocking StudiesDocking-based Drug DesignNovel Antibacterial AgentsNovel Antibacterial Drug Discovery
A series of molecules containing acetylphenoxymethyl, triazole, and N ‐phenylacetamide moieties were synthesized via the click chemistry approach. All the synthesized compounds were screened for their antimicrobial activities in vitro . The synthesized compounds 8a , 8b , 8m , and 8n showed better activities. We further performed exploratory docking studies to gain some insight regarding the molecular mechanism of antibacterial action of these compounds that could guide further structure‐activity relationship (SAR) studies. We examined the interaction of the most active compound with DNA gyrase (pdb id:1KZN). Based on antimicrobial and docking studies, the compounds 8a , 8b , 8m , and 8n were identified as potential antimicrobial agents.
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