Bioactive O^N^O^ Schiff base appended homoleptic titanium(iv) complexes: DFT, BSA/CT-DNA interactions, molecular docking and antitumor activity against HeLa and A549 cell lines.

Five new homoleptic derivatives of titanium(iv) have been developed and characterized by physicochemical techniques. Metal complexes, TiHL [(CHNO)Ti], TiHL [(CHFNO)Ti], TiHL [(CHClNO)Ti], TiHL [(CHBrNO)Ti] and TiHL [(CHNO)Ti], were obtained by treating Ti(OPr) with appropriate ONO ligands (HL-HL) in anhydrous THF as solvent. The electronic structures and properties of titanium(iv) complexes (TiHL-TiHL) and ligands (HL-HL) were examined by DFT studies.