Synthesis, characterization, biological activity, molecular docking and thermal analysis of binuclear complexes

Abstract

ABSTRACT. Because of their potential medical applications as antimicrobial medicines, metal-ligand complexes have sparked a lot of attention. Synthesis and characterization of various metal-diamine complexes were the goals of the research detailed in this paper. As a result, synthesis of new binuclear ligand; N,N'-bis(3-carboxysalcylidene)-4-chloro-1,2-phenylenediamine (H4fsacph) which is derivative from the condensation of 3-formyl-2-hydroxybenzoic acid and 4-chlorobenzene-1,2-diamine has been performed. The new synthesized ligand has formed a mononuclear complex with Cu(II). The mononuclear Cu(II) complex was used to form binary nuclear complexes with some metal ions, like Cr(III), Mn(II), Fe(III), Ru(III), Pd(II) and La(III) ions. Elemental analysis, IR, UV-Visible, and thermal analyzes have been used to characterize the complexes. The interaction of a ligand with the receptors of Candida albicans and SARS-CoV-2 was predicted using molecular docking. Toward bacteria and fungi showing predominant activity against all fungi verified antibacterial activity of the synthesized complexes, while they have almost no activity against all bacteria. All compounds have shown antibacterial and antifungal activities, but the metal complexes showed better activities as compared to the original ligands, especially all zinc(II) complexes. The above results suggest that both ligands and their metal complexes have the potential to be explored as active pharmaceutical agents.
 
 KEY WORDS: Molecular structure, Metal complexes, Molecular docking, Antimicrobial, SARS-CoV-2, Antifungal
 Bull. Chem. Soc. Ethiop. 2022, 36(4), 843-858. 
 DOI: https://dx.doi.org/10.4314/bcse.v36i4.10