Spectral characterization, DFT, docking and cytotoxicity of N-benzyl-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-carbothioamide and its metal complexes
Nasser Mohammed Hosny, Arafa Belal, Rana Motawea, Mostafa A. Hussien, Mohamed H. Abdel‐Rhman
Topics & Concepts
ChemistryLigand (biochemistry)Electron paramagnetic resonancePyrazoleMetalCrystallographyDensity functional theoryDocking (animal)Infrared spectroscopyThermogravimetric analysisSpectral lineProton NMRStereochemistryComputational chemistryNuclear magnetic resonanceOrganic chemistryMedicinePhysicsReceptorBiochemistryNursingAstronomySynthesis and biological activityNonlinear Optical Materials ResearchMetal complexes synthesis and properties