Comprehensive study of a dihydrobenzodioxin-based Schiff base: Synthesis, computational evaluation, topological and docking insights
Mohammad Ahmad Wadaan, N. Elangovan, Sandhanasamy Devanesan, Nawaf D. Almoutiri, Madhappan Santhamoorthy
Topics & Concepts
ChemistryNatural bond orbitalDocking (animal)MoleculeComputational chemistryHydrogen bondElectronic structureChemical physicsFluorescence spectroscopyDelocalized electronDrug discoveryDensity functional theoryChemical stabilityFluorescenceSpectroscopyTopology (electrical circuits)Molecular dynamicsCombinatorial chemistryChemical shiftMolecular modelQuantum chemicalSmall moleculeSide chainStereochemistryAtoms in moleculesNuclear magnetic resonance spectroscopyQuantum chemistryNanotechnologyActive siteChemical structureBenzoxazoleQM/MMDrug designMetal complexes synthesis and propertiesFree Radicals and AntioxidantsSynthesis and Characterization of Heterocyclic Compounds