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.
journal_name
Int J Biol Macromoljournal_title
International journal of biological macromoleculesauthors
Ajloo D,Shabanpanah S,Shafaatian B,Ghadamgahi M,Alipour Y,Lashgarbolouki T,Saboury AAdoi
10.1016/j.ijbiomac.2015.03.016subject
Has Abstractpub_date
2015-01-01 00:00:00pages
193-202eissn
0141-8130issn
1879-0003pii
S0141-8130(15)00167-1journal_volume
77pub_type
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