In the first section of this thesis, trinuclear palladium complexes with 4-chlorobenzoxime, 9-fluorenone oxime, di-nuclear cyclopalladated complexes derived from phenylaniline ferrocene-bridge, monomer complexes bioactive O,O-chelated flavonoids derived from secondary benzeylamines and di-nuclear cyclopalladated complexes acetate-bridge derived from phenylimidazole have been synthesized and structurally characterized by elemental analysis (C, H, N), IR, NMR resonance signals, and single crystal X-ray diffractometry. In the next step, the interaction ability of the complexes with native calf thymus DNA (CT-DNA) and bovine serum albumin (BSA) were investigated by vivid spectroscopic techniques and molecular modeling studies. In vitro studies (UV-Vis spectroscopy, competitive emission titration, circular dichroism (CD) and helix melting methods) show that the complexes interact with DNA via a groove mechanism binding mode for trinuclear palladium complexes and intercalation mechanism binding mode for cyclopalladated complexes. Furthermore, the microenvironment and secondary structure of BSA are changed in the presence of the trinuclear Pd (II) complexes. Competitive binding using the site markers, Eosin and Ibuprofen, demonstrated that the complex binds to domain I (subdomain IIA) on BSA. The molecular docking experiment confirmed the above results and effectively proved the binding of the Pd (II) complexes to BSA and DNA. Finally, cancer therapy in ( in vitro ) and ( in vivo ) animal model investigation of the complexes on cell lines indicates that the complexes exhibit a considerable cell growth-inhibitory.