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Novel thiourea derivative compounds: Thermal behavior, biological evaluation, Hirshfeld surfaces and frontier orbitals analyses, in silico ADMET profiling and molecular docking studies

Tuncay Yeşilkaynak, Fatma Nur Özkömeç, Mustafa Çeşme, Ruken Esra Demirdöğen, Canan Vejselova Sezer, Hatice Mehtap Kutlu, Fatih Mehmet Emen

2023Journal of Molecular Structure23 citationsDOI

Topics & Concepts

ChemistryIn silicoDocking (animal)Molecular orbitalThioureaHOMO/LUMOHarmineStereochemistryComputational chemistryBiochemistryMoleculeOrganic chemistryPharmacologyGeneNursingMedicineSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsMetal complexes synthesis and properties
Novel thiourea derivative compounds: Thermal behavior, biological evaluation, Hirshfeld surfaces and frontier orbitals analyses, in silico ADMET profiling and molecular docking studies | Litcius