New anticancer potential Pt complex with tertamyl dithiocarbamate ligand: Synthesis, DNA targeting behavior, molecular dynamic, and biological activity

Abstract

In this research, a new platinum complex, [Pt(phen)(tertamyl.dtc)]NO3, where (phen) is 1,10-phenanthroline and (tertamyl.dtc) is the tertamyl-dithiocarbamate ligand, has been synthesized and specified by UV–Vis, FT-IR, 1H NMR, and 13C NMR spectroscopies. Various spectroscopy methods and simulation studies studied DNA binding properties of the Pt dithiocarbamate derivative. UV–vis spectroscopic data and thermal stability study displayed the amount of groove binding between [Pt(phen)(tertamyl.dtc)]NO3 complex and CT-DNA. The results of fluorescence and CD studies demonstrated that [Pt(phen)(tertamyl.dtc)]NO3 binds on DNA as a groove binder, and the tendency to interact with DNA was measured by molecular docking simulation. Finally, different thermodynamic and binding parameters showed a spontaneous process, and hydrophobic forces were recognized as the main forces. The results and the simulation insights, showed that [Pt(phen)(tertamyl.dtc)]NO3 could bind to DNA and, via minor groove binding on G and T centers on DNA, formed a stable DNA complex. In vitro cytotoxicity was assessed in several human cell lines. Because of phenanthroline presence in the structure of the Pt complex, IC50 values of this complex against Panc1 and HT29 cell lines were obtained less than oxaliplatin and against HCT116 and MCF7 more than it.