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paper55

New mixed ligand palladium(II) complexes based on the antiepileptic
drug sodium valproate and bioactive nitrogen-donor ligands: Synthesis,
structural characterization, binding interactions with DNA and BSA,
in vitro cytotoxicity studies and DFT calculations
 
 
Leila Tabrizi, Hossein Chiniforoshan ⇑, Hossein Tavakol
 
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 141 (2015) 16–26
 
Abstract
The complexes [Pd(valp)2(imidazole)2] (1), [Pd(valp)2(pyrazine)2] (2) (valp is sodium valproate) have
been synthesized and characterized using IR, 1H NMR, 13C{1H} NMR and UV–Vis spectrometry. The interaction
of complexes with CT-DNA has been investigated using spectroscopic tools and viscosity measurement.
In each case, the association constant (Kb) was deduced from the absorption spectral study and the
number of binding sites (n) and the binding constant (K) were calculated from relevant fluorescence
quenching data. As a result, a non-covalent interaction between the metal complex and DNA was suggested,
which could be assigned to an intercalative binding. In addition, the interaction of 1 and 2 was
ventured with bovine serum albumin (BSA) with the help of absorption and fluorescence spectroscopy
measurements. Through these techniques, the apparent association constant (Kapp) and the binding constant
(K) could be calculated for each complex. Evaluation of cytotoxic activity of the complexes against
four different cancer cell lines proved that the complexes exhibited cytotoxic specificity and significant
cancer cell inhibitory rate. Moreover, density functional theory (DFT) calculations were employed to provide
more evidence about the observed data. The majority of trans isomers were supported not only by
energies, but also by the similarity of its calculated IR frequencies, UV adsorptions and NMR chemical
shifts to the experimental values.

 

تحت نظارت وف بومی

paper55 | Professor Hossein Tavakol

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تحت نظارت وف بومی