Thermodynamic characterisation of triazol ylimino-DNA interaction by UV–Vis spectroscopy

•Compound showed potent anti-cancerous as well as cytotoxic properties when anticancer and cytotoxicity was determined through MTT assay.•Spectroscopic results indicate that TMB-DNA binding took place.•Kb value for TMB-DNA complexation is in the range of 105 which suggests that this binding take place via intercalation mode.•UV–Vis spectroscopic technique used as a tool to study TMB-DNA complexation mechanism at two different temperatures to evaluate thermodynamic parameters of complexation process.•Thermodynamic parameters evaluated shows that reaction is thermodynamically favourable. To efficiently design improved therapeutic agent, study of molecule-DNA interaction is a crucial step. In our previous study, we investigated comprehensive mechanism of some 1,2,4 triazol-4-ylimino derivatives, and they exhibited excellent in vitro anti-cancer activities. Out of all compounds studied previously (E)-3-((4H-1,2,4 triazol-4-ylimino) methyl) benzene-1,2-diol (TMB) demonstrated the best anti-cancer activity. This prompted us to explore its action mechanism by interacting the compound with the Salmon Sperm DNA. UV–Vis spectroscopic technique was employed as a tool to study this mechanism at two different temperatures. A slight bathochromic shift along with a noticeable hypochromic effect appears signaling interaction of the molecules with DNA. Thus, it clearly depicts that compound was bound to DNA. To interpret the TMB-DNA interaction mechanism, adsorption of TMB on various concentrations of salmon sperm DNA was investigated. It was found that the adsorption of TMB decreased with increased concentrations of DNA. Electrostatic attraction between TMB and DNA, and interactions among TMB molecules deemed to play a role in the interaction mechanism. Thermodynamic data obtained indicates the thermodynamic feasibility of overall process. This work offered an insight to molecular mechanism of the interaction between TMB and tumor cells. It further offered a valuable standpoint to the design novel 1,2,4 triazol-4-ylimino derivatives based anticancer compounds. [Display omitted]