Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge

We have investigated the photophysical properties of chalcone derivatives by UV-visible absorption spectra. The HOMO–LUMO energies were calculated. Electrochemical properties of the compounds (5a–5d) via cyclic voltammetry showed that compounds have oxidation peaks. In addition, chalcone derivatives were analyzed for DNA binding study. It revealed that chalcone derivatives had a promising affinity towards DNA double helix. DNA binding constants of the complexes indicate the intercalative binding mode involving a strong aromatic chromophore and DNA base pairs.

Synopsis: We have calculated the photophysical and electrochemical properties of chalcone derivatives by UV-visible absorption spectra. Along with this DNA binding studies were also performed.