Russian Journal of General Chemistry · 2018 · 14 citations · 21 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsAnalgesiaChemical Space ExplorationLead Compound DesignLigand-based DesignMolecular DockingStructure-activity Relationship AnalysisAnalgesic Anti-inflammatory PharmacologyAnalgesic Drug DevelopmentAnti-inflammatory ResponseMedicinal Chemistry ApplicationsMolecular Docking AnalysisMolecular Docking OptimizationOxadiazole Chemistry
In the present study novel 1,2,4-oxadiazolo sulfonamides 3a–3o are synthesized by an efficient method based on the reaction of 1,2,4-oxadiazole amines with aryl sulfonyl chlorides. Structures of the synthesized compounds are confirmed by IR, NMR and Mass spectra. Molecular interactions of the obtained compounds are studied by Discovery Studio v3.5, molecular docking with COX-2 enzyme. The compounds with high LibDock score are screened for their in vivo analgesic and anti inflammatory activities. The compound 3l demonstrates the highest activity.
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Iraj Rahavi Ezabadi, Charalabos Camoutsis, Panagiotis Zoumpoulakis et al. · Bioorganic & Medicinal Chemistry · 2007 · 235 citations
Panagiotis Zoumpoulakis, Ch. Camoutsis, George Pairas et al. · Bioorganic & Medicinal Chemistry · 2011 · 200 citations