Investigation of Spectroscopic, Theoretical and Molecular Docking of methoxyphenyl derivatives

The metal ions accelerate drug action and efficiency of therapeutic compounds [1]. Metal complexes may inhibit the protein synthesis because of interference in the cellular respiration. Cancer is leading cause of fatality in recent years and remained as a challenge for the world [2-3]. It is known that The formation of transition metal complexes of 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione (curcumin), such as Co(II), Cu(II) and Zn(II) ions, is another effective strategy for improvement of the bioavailability of curcumin and has become an attractive field of research for organic researchers. There are a large number of reported metal complexes of curcumin but the metal complexes of Cu(II) and Zn(II) ions have received more attention because of their immense and diverse biological or biomedical applications. 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 1JNX that is well known one of the breast cancer proteins at DockingServer. Anti-cancer properties will be examined by the most optimized structures of ligands.