Source :
Journal of Molecular Structure
Descriptors :
Dinuclear Zn(II) complex , Crystal structure , DNA interaction , HSA binding , Molecular modeling
Abstract :
A tridentate Schiff base ligand NNO donor (HL: 1-((E)-((pyridin-2-yl)methylimino)methyl)naphthale
n-2-ol was synthesized from condensation of 2-hydroxynaphtaldehyde and 2-picolylamine. Zinc complex,
Zn2L2(NO3)2, was prepared from reaction of Zn(NO3)2 and HL at ambient temperature. The ligand
and complex were characterized by FT-IR, 1H NMR, 13C NMR and elemental analysis (CHN).
Furthermore, the structure of dinuclear Zn(II) complex was determined by single crystal X-ray analysis.
The complex, Zn2L2(NO3)2, is centrosymmetric dimer in which deprotonated phenolates bridge the two
Zn(II) atoms and link the two halves of the dimer. In the structure, Zinc(II) ions have a highly distorted
six-coordinate structure bonded to two oxygen atoms from a bidentate nitrate group, the pyridine nitrogen,
an amine nitrogen and phenolate oxygens. The interaction of dinuclear Zn(II) complex with fish
sperm DNA (FS-DNA) and HSA was investigated under physiological conditions using fluorescence
quenching, UV–Vis spectroscopy, molecular dynamics simulation and molecular docking methods. The
estimated binding constants for the DNA-complex and HSA-complex were (3.60 ± 0.18) 104 M1 and
(1.35 ± 0.24) 104 M1, respectively. The distance between dinuclear Zn(II) complex and HSA was
obtained based on the Förster’s theory of non-radiative energy transfer. Molecular docking studies
revealed the binding of dinuclear Zn(II) complex to the major groove of FS-DNA and IIA site of protein
by formation of hydrogen bond, p-cation and hydrophobic interactions.
Title of Article :
Synthesis, characterization, crystal structure, DNA- and HSA-binding studies of a dinuclear Schiff base Zn(II) complex derived from 2-hydroxynaphtaldehyde and 2-picolylamine
Author/Authors :
Zahra Kazemi , Hadi Amiri Rudbari , Valiollah Mirkhani , Mehdi Sahihi , Majid Moghadam , Sharam Tangestaninejad , Iraj Mohammadpoor-Baltork
Author/Authors - جزئيات :