Docking of imines, cytotoxicity and DNA interaction studies of metal(II) complexes

• Synthesis and characterization of pyridine/thiophene based Schiff base by various spectral methods.
• M(II) complexes were found to octahedral and square planar geometry, respectively.
• The biological studies of cytotoxic studies by using Hep G2 cell lines.
• Transition metal complexes are found suitable for designing the anticancer drug.
• The docking studies reveal that the imine group serves as Schiff base imine group only.

A new series of eight transition metal [Cu(II), Co(II), Mn(II) and Ni(II)] complexes of Schiff bases were synthesised from pyridine/thiophene carbaldehyde and 2,2-diphenylethanamine and further characterized. The investigation of these complexes confirmed that the stability of metal–ligands coordination through N, N & N, S atoms as bidendate chelates. Docking studies showed that the system binds strongly with DNA. The metal/ligands ratio of 1:2 was proposed to afford square planar and octahedral geometry for the complexes. Further, the studies on DNA binding & cleavage characteristics of the ligands & complexes using spectral and electrophoresis techniques evidenced the groove binding property of DNA with metal complexes. The synthesized complexes also found to induce cytotoxicity in cell lines.