Abstract
In the search for novel, metal-based drug complexes that may be of value as anticancer agents, five new transition metal complexes of sulfaclozine (SCZ) with Cu(II), Co(II), Ni(II), Zn(II), and Fe(II) were successfully synthesized. The chemical structure of each complex was characterized using elemental analysis (CHN), IR spectroscopy, UV–Vis spectroscopy, thermogravimetric analysis (TGA), and electronic paramagnetic resonance (EPR) spectroscopy. IR spectra indicated that the donor atoms were one sulfonyl oxygen atom and one pyrazine nitrogen atom, which associated with the metal ions to form a stable hexagonal coordination ring. The metal–ligand stability constant (Kf) revealed that Cu(II) and Ni(II) have good coordination stability among the metal compounds. Theoretical studies using DFT/B3LYP were performed to further validate the proposed structures. The obtained results indicated that Cu(II) has a trigonal bipyramidal geometry, whereas Fe(II), Co(II), and Ni(II) have an octahedral structure, while Zn(II) has a tetrahedral arrangement. The bio-activities of the characterized complexes were evaluated using DNA binding titration and molecular docking. The binding constant values for the metal complexes were promising, with a maximum value for the copper metal ion complex, which was 9 × 105 M-1. Molecular docking simulations were also carried out to evaluate the interaction strength and properties of the synthesized metal complexes with both DNA and selected cancer-relevant proteins. These results were supported by in vitro cytotoxicity assays showing that the Cu(II) and Ni(II) complexes display promising antitumor activity against colon and breast cancer cell lines.
Highlights
Sulfonamide is a well-known antibacterial compound that has been in use for around 50 years (Stober and DeWitte, 1982)
Cytotoxicity Results There are several human cancer cell lines derived from different cancer types that have been commonly used to evaluate the anticancer properties of potential drugs
The new metal-based drugs, Cu(II), Co(II), Zn(II), Ni(II), and Fe(II), of sulfaclozine complexes were synthesized, and their structures were affirmed by various analytical approaches
Summary
Sulfonamide is a well-known antibacterial compound that has been in use for around 50 years (Stober and DeWitte, 1982). It came to prominence when Domagk et al reported that Prontosil, a sulfamidochrysoidine azo dye, was reduced to the antibiotic sulfonamide and triamine benzene in living cells (Domagk, 1935), with sulfonamide being the affected part in this dye molecule. Metal Complexes of Sulfaclozine and Biological Studies therapeutics. One of the least expensive and simplest methods is spectroscopic titration experiments with CT-DNA to study binding affinity of the metal complexes with the pharmacological target. A previous study tested the inhibitory effect of sulfonamide and its derivatives on a selected cancer cell line (Refat et al, 2016). In this work, in vitro cytotoxicity assays using two cell lines, a breast cancer cell line (MCF-7) and a colon cancer cell line (CaCo-2), were used to evaluate all compounds
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