Synthesis, characterization and investigation of biological activities of novel schiff base ligand and some metal complexes

Aim: The aim of this thesis is the synthesis and characterization of a Schiff base ligand and its complexes of Co(II), Ni(II), Cu(II) and Zn(II) and to elucidate the mechanisms of action of the synthesized compounds using Schrödinger Suite computer-aided molecular modeling program. Material and Method: Elemental, spectroscopic and thermal analysis techniques were used to elucidate the structures of the synthesized ligand and metal complexes. Some descriptive molecular properties were calculated using a molecular modeling program to elucidate the mechanisms of action of the compounds. Results: A Schiff base ligand was synthesized from the reaction of 4-diethylamino-2-hydroxybenzaldehyde, a salicylaldehyde derivative, and 2-amino-4-methylphenol, an aminophenol derivative, and metal complexes were synthesized from the reaction of this ligand with metal acetates under appropriate conditions. The structures of the compounds were elucidated using instrumental analysis methods and activity studies were carried out. Conclusion: Structural characterization studies were performed after the synthesis of Schiff base ligand and metal complexes. The mechanisms of action of the synthesized compounds and the active site where the docking will be performed were determined and the interactions of the synthesized possible drug molecule candidates with the target receptor site were calculated. π-π interactions with the anionic site amino acids Trp86, Tyr124 and Tyr341 and also π-cation interaction with the catalytic active site residue His447 were detected between the ZnL2 compound and AChE. However, it was seen that further in vivo studies were also needed. 2024, 85 Pages Keywords: Aminophenol, Ligand, Metal Complex Molecular Modeling, Schiff Base