Transition metal complexes are playing an important role the field of bioorganic chemistry. it has been attempted to investigate the anti-cancer properties of complexes of 2-benzimidazole derivatives formed with various metal atoms [1-2]. In these examinations, biological agents of these derivatives will be compared [3]. The most active ligand will examine the complexes that this ligand creates with its metal atoms. Metal complexes are useful in the development of effective drugs for various diseases like cancer. The ability of transition metal ions to exhibit variable oxidation states has made them to be potential molecules in the biological system. Many of the coordination complexes with copper and zinc have been established to be effective antibacterial, cytotoxic, antiinflammatory and antiviral agents. Optimized structures are calculated in B3lyp, HF and m062x, method 3-21g, 6-31g, sdd basis set. The 1H-NMR, 12C-NMR, UV-VİS and IR spectra of these ligands will be examined by looking at their spectroscopic properties. At the same time, Molecular docking calculations are carried out between studied ligand and the 2ING is well known like the breast and ovarian cancer proteins at DockingServer. Anti-cancer properties will be examined by the most optimized structures of ligands.  

Keywords - 2-benzimidazole, Molecular docking, DFT, spectroscopy

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