title: Interaction of three new tetradentates Schiff bases containing N2O2 donor atoms with calf thymus DNA.
abstract: Interaction of 1,3-bis(2-hydroxy-benzylidene)-urea (H2L1), 1,3-bis(2-hydroxy-3-methoxy-benzylidene)-urea (H2L2) and 1,3-bis(2-hydroxy-3-methoxy-benzylidene)-urea nickel(II) (NiL2) with calf-thymus DNA were investigated by UV-vis absorption, fluorescence emission and circular dichroism (CD) spectroscopy as well as cyclic voltammetry, viscosity measurements, molecular docking and molecular dynamics simulation. Binding constants were determined using UV-vis absorption and fluorescence spectra. The results indicated that studied Schiff-bases bind to DNA in the intercalative mode in which the metal derivative is more effective than non metals. Their interaction trend is further determined by molecular dynamics (MD) simulation. MD results showed that Ni derivative reduces oligonucleotide intermolecular hydrogen bond and increases solvent accessible surface area more than other compounds.
authors: School of Chemistry, Damghan University, Damghan, Iran. Electronic address: ajloo@du.ac.ir.
authors: Davood
authors: D
authors: Ajloo
authors: School of Chemistry, Damghan University, Damghan, Iran.
authors: Sajede
authors: S
authors: Shabanpanah
authors: School of Chemistry, Damghan University, Damghan, Iran.
authors: Bita
authors: B
authors: Shafaatian
authors: School of Chemistry, Damghan University, Damghan, Iran.
authors: Maryam
authors: M
authors: Ghadamgahi
authors: School of Chemistry, Damghan University, Damghan, Iran.
authors: Yasin
authors: Y
authors: Alipour
authors: School of Biology, Damghan University, Damghan, Iran.
authors: Taghi
authors: T
authors: Lashgarbolouki
authors: Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran.
authors: Ali Akbar
authors: AA
authors: Saboury
mesh_terms: D000818:Animals; D002417:Cattle; D004247:DNA / Q000737:chemistry / Q000378:metabolism*; D004563:Electrochemistry; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D009589:Nitrogen Oxides / Q000737:chemistry*; D009690:Nucleic Acid Conformation; D012545:Schiff Bases / Q000737:chemistry / Q000378:metabolism; D013696:Temperature
chemical_list: D009589:Nitrogen Oxides; D012545:Schiff Bases; D004247:DNA; C427203:calf thymus DNA
keywords: Calf-thymus DNA; Schiff-base; Spectroscopy