Synthesis, Characterization, Biological Screening and Molecular Docking of New Schiff Base and Its Mononuclear Complexes with Pb2+, Cd2+, Zn2+ and Cu2+

Asia, A.Zawia; M.Adress.Hasan, Hamad; M. Najar, Adel; Ahmed Ali Abdusalam, Ashraf; Aeyad, Tahani

doi:10.18576/jpac/080101

Synthesis, Characterization, Biological Screening and Molecular Docking of New Schiff Base and Its Mononuclear Complexes with Pb2+, Cd2+, Zn2+ and Cu2+

Document Type : Original Article

Authors

¹ 2Chemistry Department, Faculty of Science, Omar al-Mukhtar University, Al Bayda, Libya.

² 1Department of Chemistry, Benghazi University, Elmarj, Libya.

³ 3Department of Pharmaceutical Sciences, Faculty of health sciences, Sirte University, Sirte Libya.

10.18576/jpac/080101

Abstract

Abstract

This work deals with preparation of a Schiff base (L) by the condensation of 4-(dimethylamino)benzaldehyde with amino acid (Serine). The ligand (L) was reacted with metal ions Pb(II), Cd(II), Zn(II) and Cu(II) to form complexes with different properties. The metal complexes have been successfully synthesized in an alcoholic medium. The structures of all the synthesized compounds were characterized using TGA analysis, IR spectroscopy and UV–Vis spectroscopy. Moreover, the solvent effects for the maximum absorbance of the Schiff base using DMSO and DMF were recorded at different λmax (354 and 337 respectively). Furthermore, the ligand (L) and its metal complexes were tested for in-vitro antimicrobial activity and showed significant effects. The biological activity testing results showed that the complexes were more potent antibiotics than the free ligand. The Cu(II) and Cd(II) complexes displayed high antimicrobial potency while the Pb(II) and Zn(II) complexes did not. Finally, molecular docking simulation of the synthesized compounds were performed using AutoDock Vina to get insight into the binding interactions between the synthesized ligand and enzymes. The results revealed that Cu(II)/L and Cd(II)/L exhibited lower free energy of binding (FEB) compared to the free ligand. In addition, these complexes showed more interactions with the essential amino acids in the binding site. The in-vitro results were confirmed by docking analysis.

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