Synthesis, Molecular Docking, Molecular Dynamics, DFT and Antimicrobial Activity Studies of 5-substituted-2-(p-methylphenyl)benzoxazole Derivatives
Meryem Erol, İsmail Çeli̇k, Gülcan Kuyucuklu
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