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Synthesis, Molecular Docking, Molecular Dynamics, DFT and Antimicrobial Activity Studies of 5-substituted-2-(p-methylphenyl)benzoxazole Derivatives

Meryem Erol, İsmail Çeli̇k, Gülcan Kuyucuklu

2021Journal of Molecular Structure43 citationsDOI

Topics & Concepts

ChemistryDNA gyraseBenzoxazoleStereochemistryHOMO/LUMODocking (animal)Lipinski's rule of fiveMolecular dynamicsAntimicrobialNatural bond orbitalADMEEscherichia coliComputational chemistryDensity functional theoryBiochemistryIn silicoMoleculeOrganic chemistryGeneNursingMedicineIn vitroSynthesis and biological activityCancer therapeutics and mechanismsSynthesis and Biological Evaluation
Synthesis, Molecular Docking, Molecular Dynamics, DFT and Antimicrobial Activity Studies of 5-substituted-2-(p-methylphenyl)benzoxazole Derivatives | Litcius