title: Molecular structure and biological studies on Cr(III), Mn(II) and Fe(III) complexes of heterocyclic carbohydrazone ligand.
abstract: The chelating behavior of the ligand (H2APC) based on carbohydrazone core modified with pyridine end towards Cr(III), Mn(II) and Fe(III) ions have been examined. The (1)H NMR and IR data for H2APC revealed the presence of two stereoisomers syn and anti in both solid state and in solution in addition to the tautomeric versatility based on the flexible nature of the hydrazone linkage leading to varied coordination modes. The spectroscopic data confirmed that the ligand behaves as a monobasic tridentate in Cr(III) and Fe(III) complexes and as neutral tetradentate in Mn(II) complex. The electronic spectra as well as the magnetic measurements confirmed the octahedral geometry for all complexes. The bond length and angles were evaluated by DFT method using material studio program for all complexes. The thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. The antioxidant (DDPH and ABTS methods), anti-hemolytic and cytotoxic activities of the compounds have been screened. Cr(III) complex and H2APC showed the highest antioxidant activity using ABTS and DPPH methods. With respect to in vitro Ehrlich ascites assay, H2APC exhibited the potent activity followed by Fe(III) and Cr(III)complexes.
authors.affiliation: Department of Chemistry, Faculty of Science, Mansoura University, P.O. Box 70, Mansoura, Egypt. Electronic address: gaelreash@mans.edu.eg.
authors.forename: G M
authors.initials: GM
authors.lastname: Abu El-Reash
authors.affiliation: Department of Chemistry, Faculty of Science, Mansoura University, P.O. Box 70, Mansoura, Egypt.
authors.forename: O A
authors.initials: OA
authors.lastname: El-Gammal
authors.affiliation: Department of Chemistry, Faculty of Science, Mansoura University, P.O. Box 70, Mansoura, Egypt.
authors.forename: A H
authors.initials: AH
authors.lastname: Radwan
mesh_terms: D000818:Animals; D000975:Antioxidants / Q000494:pharmacology; D001713:Biphenyl Compounds / Q000737:chemistry; D002286:Carcinoma, Ehrlich Tumor / Q000473:pathology; D002857:Chromium / Q000494:pharmacology; D056831:Coordination Complexes / Q000737:chemistry* / Q000494:pharmacology*; D004583:Electrons; D004912:Erythrocytes / Q000187:drug effects; D016166:Free Radical Scavengers / Q000737:chemistry; D006461:Hemolysis / Q000187:drug effects; D006571:Heterocyclic Compounds / Q000737:chemistry / Q000494:pharmacology*; D006835:Hydrazones / Q000737:chemistry* / Q000494:pharmacology*; D007501:Iron / Q000494:pharmacology; D007700:Kinetics; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008345:Manganese / Q000494:pharmacology; D019216:Metals, Heavy / Q000737:chemistry* / Q000494:pharmacology*; D051379:Mice; D008958:Models, Molecular; D008968:Molecular Conformation; D010851:Picrates / Q000737:chemistry; D011725:Pyridines / Q000737:chemistry* / Q000494:pharmacology*; D051381:Rats; D013055:Spectrophotometry, Infrared; D013816:Thermodynamics; D013818:Thermogravimetry; D014508:Urea / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000975:Antioxidants; D001713:Biphenyl Compounds; D056831:Coordination Complexes; D016166:Free Radical Scavengers; D006571:Heterocyclic Compounds; D006835:Hydrazones; D008024:Ligands; D019216:Metals, Heavy; D010851:Picrates; D011725:Pyridines; D002857:Chromium; D008345:Manganese; D014508:Urea; C004931:1,1-diphenyl-2-picrylhydrazyl; D007501:Iron
keywords: Carbohydrazone; DFT; Ehrlich ascites; Global reactivity