title: Synthesis, spectral characterization, computational calculations and biological activity of complexes designed from NNO donor Schiff-base ligand.
abstract: A new series of Co(II), Ni(II) and Cu(II) complexes of (Z)-2-oxo-2-(phenylamino)-N'-(1-(pyridin-2-yl)ethylidene)acetohydrazide (H2OPPAH) have been prepared and characterized by conventional techniques. The spectral data indicated that the ligand acts as neutral or mononegative NNO tridentate. On the basis of magnetic and electronic spectral data an octahedral geometry for Ni(II) and Cu(II) complexes and a tetrahedral geometry for Co(II) complex have been proposed. The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds. The Kinetic parameters were determined for each thermal degradation stages of the ligand and its complexes using Coats-Redfern and Horowitz-Metzger methods. Also, the compounds were screened for antioxidant activity using ABTS free radical, anti-hemolytic, and in vitro cytotoxic assay. H2OPPAH showed the potent antioxidant activity followed by Co(II) and Cu(II) complexes. On the other hand Ni(II) complex exhibited weak antioxidant activity using ABTS free radical and Erlich and strong erythrocyte hemolysis activity.
authors: Department of Chemistry, Faculty of Science, Mansoura University, Mansoura, Egypt. Electronic address: olaelgammal@yahoo.com.
authors: Ola A
authors: OA
authors: El-Gammal
authors: Department of Chemistry, Faculty of Science, Mansoura University, Mansoura, Egypt.
authors: G M
authors: GM
authors: Abu El-Reash
authors: Department of Toxic and Narcotic Drug, Forensic Medicine, Mansoura Laboratory, Medicolegal organization, Egypt.
authors: T A
authors: TA
authors: Yousef
authors: Department of Chemistry, Faculty of Science, Mansoura University, Mansoura, Egypt.
authors: M
authors: M
authors: Mefreh
mesh_terms: D003035:Cobalt / Q000737:chemistry*; D003198:Computer Simulation; D003300:Copper / Q000737:chemistry*; D003603:Cytotoxins / Q000138:chemical synthesis / Q000737:chemistry; D008024:Ligands; D008958:Models, Molecular; D009532:Nickel / Q000737:chemistry*; D012545:Schiff Bases / Q000138:chemical synthesis / Q000737:chemistry
chemical_list: D003603:Cytotoxins; D008024:Ligands; D012545:Schiff Bases; D003035:Cobalt; D003300:Copper; D009532:Nickel
keywords: Antibacterial activity; Coats–Redfern; Horowitz–Metzger; Hydrazone derivatives; Molecular modeling