Synthesis and biological evaluation of novel tetranuclear cyclopalladated complex bearing thiosemicarbazone scaffold ligand: Interactions with double‐strand DNA, coronavirus, and molecular modeling studies

Threading intercalators are a novel class of materials that carry two substituents along the diagonal positions an aromatic ring. When bound to DNA, these project out in DNA grooves. Tetranuclear complexes appear be promising threading for developing therapeutics against cancer and viral infections require high nucleic acid binding affinity. The objective this work was prepare thiosemicarbazone scaffold ligand [4-ClC6H4CHN=NC(S)NHPh] tetranuclear cyclopalladated complex [Pd(4-ClC6H4CHN=NC(S)NHPh)4] characterize compounds by elemental analysis, 1D 2D NMR, HRMS, IR spectroscopy. calf thymus (CT-DNA) properties were investigated vitro under simulated physiological conditions using UV–vis spectroscopy, emission spectral titration, methylene blue competitive binding, circular dichroism, thermal denaturation, coronavirus interactions molecular simulation. showed cytotoxic effect both human breast (MCF-7) colorectal (HCT116) cells dose-dependent manner. We demonstrated intercalation binders with large constants on order 107 M−1 magnitude.