Synthesis, spectroscopic, molecular docking, theoretical calculations, DNA-binding, and anticancer activity studies of gold (III), platinum (II), palladium (II), and ruthenium (III) complexes with Girard-T reagent

This article details the synthesis of new Girard-T reagent ligands. Condensation of 2-hydroxyacetophenone or 2-acetyl-thiophene with Girard-T reagent results in new hydrazone ligands. The interaction of these Girard-T hydrazones with transition metal chlorides, like Au (III), Ru (III), Pd (II), and Pt (II), produces different complexes. Elements and spectrum analyses (IR, UV-Vis, EI-mass, and 1H NMR) were used to characterize the isolated solid complexes, as well as conductimetric and magneto-chemical studies. Metal complexes can have different geometrical configurations, including square planar and octahedral coordination. The DMOL3 method, which is a part of the Material Studio package, was also utilized for structure optimization. Horowitz-Metzger and Coats-Redfern methods were utilized to calculate the various thermodynamic and kinetic parameters. The ligands and the complexes of their metal were evaluated for anticancer activity against carcinoma cervix (Prostate) and the mammary gland female breast (MCF-7) cell line having cancer, with promising results. Among these compounds, the Ru (III) and Pt (II) complexes' anticancer activity against (MCF-7) cell lines, comparable with that of 5-fluorouracil were carried out and their interactions were performed by molecular docking simulations against MCF-7 (PDB ID: 3W2S) receptor. Preparation of metal complexes of Girard-T hydrazonesGeometry optimization, thermal degradation, and biological Studies of investigated compounds3D molecular docking interaction of GT.O ligand towards the inhibitor to MCF-7 through a & pi;-& pi; stacking between aromatic ring and PHE856image