In vitro antifungal activities, molecular docking, and DFT studies of 4-amine-3-hydrazino-5-mercapto-1,2,4-triazole derivatives
Le Qi, Mou‐Cui Li, Jiachao Bai, Yinghui Ren, Haixia Ma
Topics & Concepts
ChemistryHOMO/LUMODensity functional theoryDocking (animal)Carbon-13 NMRMolecular orbitalAmine gas treatingStereochemistryMolecular modelProton NMRMoleculeSchiff baseCrystal structureAntifungalCrystallographyComputational chemistryOrganic chemistryNursingMedicineDermatologySynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsSynthesis and Biological Evaluation