Interaction of three new tetradentates Schiff bases containing N2O2 donor atoms with calf thymus DNA
| Autor: | Sajede Shabanpanah, Yasin Alipour, Ali Akbar Saboury, Taghi Lashgarbolouki, Davood Ajloo, Maryam Ghadamgahi, Bita Shafaatian |
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| Rok vydání: | 2015 |
| Předmět: |
Circular dichroism
Molecular Dynamics Simulation Photochemistry Biochemistry Accessible surface area chemistry.chemical_compound Molecular dynamics Structural Biology Electrochemistry Animals Spectroscopy Molecular Biology Schiff Bases Schiff base Hydrogen bond Intermolecular force Temperature DNA General Medicine Molecular Docking Simulation Crystallography chemistry Nucleic Acid Conformation Cattle Nitrogen Oxides Derivative (chemistry) |
| Zdroj: | International Journal of Biological Macromolecules. 77:193-202 |
| ISSN: | 0141-8130 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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