Synthesis, characterization and investigation of effects as A drug precursor of novel schiff base ligand and some metal complexes

Aim: In this thesis, it is aimed to synthesize new Schiff base ligand and some metal complexes, to perform characterization studies and to elucidate the action mechanisms of the synthesized compounds with the Schrödinger Suite computer aided molecular modeling program. Material and Method: The structures of Schiff base 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 ligand and its complexes from M(II) acetates of this ligand were synthesized from the reaction of 5-fluorosalicylaldehyde, which is salicylaldehyde derivatives, and o-aminophenol. The structures of Schiff bases and their complexes were elucidated by spectroscopic methods and biological activity studies were carried out. Conclusion: Structural characterization was performed by synthesizing Schiff base ligand and its complexes. It has been determined that Schiff base in the complexes act as bidentate chelates by 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 coupling will take place were determined, and the interactions of possible drug molecule candidates synthesized with the Structure Based Drug Design method with the target receptor site were calculated. In particular, the Zn(II) complex has the potential to be evaluated however, further in vivo studies are needed.