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Synthesis, characterization, X-ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, boiled-egg model properties and molecular docking studies with human cyclophilin D (CypD) of a Schiff base compound: (E)-1-(5-nitro-2-(piperidin-1-yl)phenyl)-N-(3-nitrophenyl)methanimine

Songül Şahin, Necmi Dege

2021Polyhedron125 citationsDOI

Topics & Concepts

ChemistryHOMO/LUMOSchiff baseStereochemistryX-rayCrystallographyMolecular modelDocking (animal)MoleculeOrganic chemistryMedicinePhysicsNursingQuantum mechanicsNonlinear Optical Materials ResearchComputational Drug Discovery MethodsProtein Interaction Studies and Fluorescence Analysis
Synthesis, characterization, X-ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, boiled-egg model properties and molecular docking studies with human cyclophilin D (CypD) of a Schiff base compound: (E)-1-(5-nitro-2-(piperidin-1-yl)phenyl)-N-(3-nitrophenyl)methanimine | Litcius