Synthesis, characterization of N2O2 TYPE novel schiff base ligands and their complexes and investigation of effects as drug precursor

Aim: In this thesis, it is aimed to synthesize new Schiff base ligands and their metal complexes, to perform characterization studies and to elucidate the action mechanisms of the synthesized compounds with the molecular modeling program Schrödinger 2021-2 used in computer aided drug design method. Material and Method: The structures of Schiff bases and complexes were elucidated using IR, 1H-NMR, 13C-NMR, UV-Vis, SEM, XRD, magnetic susceptibility and thermogravimetric analysis methods. In order to elucidate the mechanism of action of the synthesized compounds, some descriptive molecular properties were calculated using the Schrödinger Suite computer aided molecular modeling program. Results: Within the scope of the study, Schiff base ligands and their complexes from M(II) acetates of these ligands were synthesized from the reaction of 5-iodosalicylaldehyde and 3,5-diiodosalicylaldehyde, which are salicylaldehyde derivatives, with o-aminophenol. The structures of Schiff bases and their complexes were elucidated by spectroscopic methods and biological activity studies were carried out. Conclusion: Structural characterizations of the synthesized compounds were made. It has been determined that Schiff bases in the complexes binding to the metal ion from the imine nitrogen and phenolic oxygen. The mechanism of action of the synthesized compounds and the active site where the docked will take place have been determined. The interactions of possible drug molecule candidates synthesized by molecular docking, which is one of the Structure-Based Drug Design methods, with the active binding site of the target were calculated. It has been seen that Schiff base ligands and complexes have the potential to be evaluated, however, further in vivo studies are needed.