Abstract
The importance of the zwitterionic charge balance is laying emphasis on their binding propensity toward the target biomolecule like DNA. In the present work, the interaction of a Zn(II) complex (1) of zwitterionic Schiff base with calf thymus DNA (ctDNA) has been examined by various biophysical tools. Notable changes in the absorption and emission profile reveal the formation of the 1-ctDNA complex. Spectroscopic technique together with ethidium bromide competitive assay [Fe(CN)6](4-) quenching and viscosity measurements, dictates the groove binding for the interaction between complex 1 and ctDNA, which was also authenticated by molecular docking studies. ADME and Lipinski's drug likeness of zwitterionic molecules was demonstrated as positive physicochemical good for oral bioavailability. Additionally, complex 1 showed cytotoxic activity toward HeLa cancer cells at a minimum concentration (11.19 mu g/mL) at 48 h.