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.

journal_name

Int J Biol Macromol

authors

Ajloo D,Shabanpanah S,Shafaatian B,Ghadamgahi M,Alipour Y,Lashgarbolouki T,Saboury AA

doi

10.1016/j.ijbiomac.2015.03.016

subject

Has Abstract

pub_date

2015-01-01 00:00:00

pages

193-202

eissn

0141-8130

issn

1879-0003

pii

S0141-8130(15)00167-1

journal_volume

77

pub_type

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