Multifaceted bioactivity of thiosemicarbazide derivatives: Synthesis, characterization, and DFT investigations on inhibition of α-amylase, hydroxyl radical scavenging, and iron chelating activities with molecular docking insights
Sana Idris, Faheem Jan, Mahnoor Waheed, Aftab Alam, Muhammad Ibrahim, Abdullah F. Alasmari, Fawaz Alasmari, Bo Li, Momin Khan
Topics & Concepts
ChemistryIC50Docking (animal)AntioxidantDensity functional theoryStereochemistryHydrogen bondProton NMRCarbon-13 NMRComputational chemistryIn vitroMoleculeOrganic chemistryBiochemistryMedicineNursingEnzyme function and inhibitionComputational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds