Synthesis, characterization, DNA binding, cytotoxicity and molecular docking properties of Cu (II) and Mn (II) complexes with 1,4‐bis (pyrazol‐1‐yl) terephthalic acid

Abstract

Two novel complexes, [Cu (L)(H2O)]⋅H2O (1) and [Mn (H2O)6] ⋅L ⋅H2O (2) (L = 1,4‐bis (pyrazol‐1‐yl) terephthalic acid), were synthesized under hydrothermal conditions. They were characterized using elemental analysis, infrared spectroscopy and single‐crystal X‐ray diffraction. Intramolecular weak interactions, such as hydrogen bonds, and intermolecular interactions play important roles in the construction of the complexes. The interaction of these complexes with fish sperm DNA (FS‐DNA) was monitored and binding constants were determined using UV–visible spectroscopy, which revealed their ability to bind to FS‐DNA, with binding constants for the two complexes of 1.88 × 104 M−1 (1) and 1.06 × 104 M−1 (2). Viscosity experiments further demonstrated the binding of the complexes to DNA. The complexes were further studied using gel electrophoresis assay with supercoiled plasmid pBR322 DNA. In addition, anticancer activities of the metal complexes investigated through MTT assays in vitro indicated good cytotoxic activity against cancer cell lines. Flow cytometry and apoptosis experiments showed that these complexes induced apoptosis of two different cancer cell lines (HeLa and KB cells), demonstrating a significant cancer cell inhibitory rate. Finally, a further molecular docking technique was employed to confirm the binding of the complexes towards the molecular target DNA.

Retracted: A New Cu(I)‐Based Coordination Polymer: Crystal Structure, Molecular Docking and Protective Effect in Streptococcus‐pneumoniae‐Infected Mice by Promoting Immune Cell Response

“…Because complex 1 is polymeric, it would cost a lot of time for the calculations. So we choose a fragment method to do the docking study of the asymmetric unit of complex 1 with the receptor protein according to the literature method . The synthesized Cu(II) complex has a straight metallic backbone which contains four Cu atoms for a given primitive crystal cell.…”

“…So we choose a fragment method to do the docking study of the asymmetric unit of complex 1 with the receptor protein according to the literature method. [20,21] The synthesized Cu(II) complex has a straight metallic backbone which contains four Cu atoms for a given primitive crystal cell. The metallic backbone is rigid due to the strong covalent bonds between Cu(II) and carbon or nitrogen atoms.…”

In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate‐DNA interactions

“…[53] Redox characteristics, electrophilicity, nucleophilic reactivity, and kinetic lability of these complexes are some of the factors responsible for establishing an interaction between the DNA and the complexes. [149][150][151][152]…”

“…The interactions of diverse transition metal ion complexes with these small biomolecules such as amino acids, peptides, and nucleotides and their interactions with DNA are taken into consideration while studying its potential anticancer activity [53] . Redox characteristics, electrophilicity, nucleophilic reactivity, and kinetic lability of these complexes are some of the factors responsible for establishing an interaction between the DNA and the complexes [149–152] …”

Microwave assisted synthesis of disubstituted benzyltin arylformylhydrazone complexes: anticancer activity and DNA‐binding properties

“…The target of platinum‐based chemotherapy agents is the DNA in the proliferating cells. Therefore, DNA is an important target for drug design . Many organotin compounds exhibit good binding to DNA .…”