title: Synthesis, Spectral Characterization, DNA/ Protein Binding, DNA Cleavage, Cytotoxicity, Antioxidative and Molecular Docking Studies of Cu(II)Complexes Containing Schiff Base-bpy/Phen Ligands.
abstract: Ternary Cu(II) complexes [Cu(II)(L)(bpy)Cl] 1, [Cu(II)(L)(Phen)Cl] 2 [L = 2,3-dimethyl-1-phenyl-4(2 hydroxy-5-methyl benzylideneamino)-pyrazol-5-one, bpy = 2,2'bipyridine, phen =1,10 phenanthroline) were synthesized and characterized by elemental analyses, UV-Visible, FT-IR, ESR, Mass, thermogravimetric and SEM EDAX techniques. The complexes exhibit octahedral geometry. The interaction of the Cu(II) with cailf thymus DNA (CT-DNA) was explored by using absorption and fluorescence spectroscopic methods. The results revealed that the complexes have an affinity constant for DNA in the order of 104M-1and mode of interaction is intercalative mode. The DNA cleavage study showed that the complexes cleaved DNA without any external agent. The interaction of Cu(II) complexes with bovine serum albumin (BSA) was also studied using absorption and fluorescence techniques. The cytotoxic activity of the Cu(II) complexes was probed in HeLa (human breast adenocarcinoma cell line), B16F10 (Murine melanoma cell line) and HEPA1-6 celllines, complex 1 has good cytotoxic activity which is comparable with the doxarubicin drug, with IC50values ranging from 3 to 12.6 μM. A further molecular docking technique was employed to understand the binding of the complexes towards the molecular target DNA. Investigation of the antioxidative properties showed that the metal complexes have significant radical scavenging activity potency against DPPH radical.
authors.affiliation: Department of Chemistry, R. B.V.R. R Women's College, Narayanguda, Hyderabad, India. anupama_gudi@yahoo.co.in.
authors.forename: Berelli
authors.initials: B
authors.lastname: Anupama
authors.affiliation: Department of Chemistry, R. B.V.R. R Women's College, Narayanguda, Hyderabad, India.
authors.forename: Airva
authors.initials: A
authors.lastname: Aruna
authors.affiliation: Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, University College of Science, Osmania University, Hyderabad, 500007, India.
authors.forename: Vijjulatha
authors.initials: V
authors.lastname: Manga
authors.affiliation: Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, University College of Science, Osmania University, Hyderabad, 500007, India.
authors.forename: Sreekanth
authors.initials: S
authors.lastname: Sivan
authors.affiliation: Biomaterials group, CSIR-Indian Institute of Chemical Technology, Hyderabad, 500 007, India.
authors.forename: Madamsetty Vijay
authors.initials: MV
authors.lastname: Sagar
authors.affiliation: Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, University College of Science, Osmania University, Hyderabad, 500007, India.
authors.forename: Ravula
authors.initials: R
authors.lastname: Chandrashekar
mesh_terms: D015082:2,2'-Dipyridyl / Q000737:chemistry; D000818:Animals; D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology*; D000975:Antioxidants / Q000737:chemistry / Q000494:pharmacology*; D002417:Cattle; D056831:Coordination Complexes / Q000737:chemistry* / Q000494:pharmacology*; D003300:Copper / Q000737:chemistry*; D004247:DNA / Q000378:metabolism; D053837:DNA Cleavage / Q000187:drug effects; D004268:DNA-Binding Proteins / Q000378:metabolism; D006367:HeLa Cells; D006801:Humans; D008546:Melanoma, Experimental / Q000188:drug therapy; D051379:Mice; D062105:Molecular Docking Simulation; D010618:Phenanthrolines / Q000737:chemistry; D011485:Protein Binding; D012545:Schiff Bases / Q000737:chemistry*; D012710:Serum Albumin, Bovine / Q000378:metabolism*
chemical_list: D000970:Antineoplastic Agents; D000975:Antioxidants; D056831:Coordination Complexes; D004268:DNA-Binding Proteins; D010618:Phenanthrolines; D012545:Schiff Bases; D012710:Serum Albumin, Bovine; D015082:2,2'-Dipyridyl; D003300:Copper; D004247:DNA; C427203:calf thymus DNA
keywords: Cu(II)complexes; Cytotoxicity; DNA binding; Docking studies; Protein binding; Schiff base