Nashrieh Shimi va Mohandesi Shimi Iran

Nashrieh Shimi va Mohandesi Shimi Iran

A Zn(II) Complex of Tetraaza Macrocyclic Schiff Base Ligand: Synthesis, Characterization, Its Experimental and Theoretical Interaction Studies with CT-DNA and BSA

Document Type : Research Article

Authors
Khatereh Abdi
Alireza Nowroozi
Hassan Mansouri-Torshizi
Raziyeh Malekmohammadi
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, Zahedan, I.R. IRAN
Abstract
A tetraaza macrocyclic Schiff base complex of Zn(II) was synthesized by the reaction of ortho-phenylenediamine, acetylacetone, and anhydrous ZnCl2 in the ratio of 1:2:1, respectively. We adopted one pot template synthesis. The synthesized Zn(II) complex was characterized by repeating conductivity measurements, elemental analysis, decomposition point determinations, and spectroscopic methods such as FT-IR, 1H NMR, and UV-Vis studies. The interaction between the above Zn(II) complex (bis(acetylacetone-o-phenylenediamine)Zn(II) chloride) with calf thymus-deoxyribonucleic acid (CT-DNA) and bovine serum albumin (BSA) was studied by ultraviolet-visible absorption spectroscopy. The values of the binding constant suggest that the interaction affinity of the metal complex to CT-DNA is more as compared to BSA. The concentration of Zn(II) complex at the midpoint of the transition from native to interacted with CT-DNA is lower as compared to BSA. Moreover, the Hill coefficient, h, has a value of 1.1 which confirms the non-cooperativity in the binding of Zn(II) complex with BSA. Furthermore, in order to investigate the interaction between Zn(II) complex and DNA as well as BSA, the docking simulation was performed with the optimized structure of the complex.
Keywords
Schiff base ligand
Zn(II) complex
DNA interaction
BSA interaction
Molecular docking
Binding energy

Subjects

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