Synthesis, characterization and molecular docking of 4-(1-(1H-benzo[d]imidazol-2-ylimino)ethyl)benzonitrile and amino acid alanine and its metal complexes

Abstract

The transition metal ion complexes with mixed ligands have highly varied biological characteristics. Schiff bases comprising amino acids and azomethine are excellent building blocks for ternary complexes. To synthesize novel Metal(II) complexes, the interaction of two ligands, 4-(1-(1H-benzo[d]imidazol-2-ylimino)ethyl)benzonitrile as L 1 and an amino acid Alanine as L 2 , with a newly synthesized cuprous chloride solution in a 1:1:1 molar ratio was tried using the traditional reflux technique. The generated ligand and metal(II) complexes are characterized using elemental analysis, molecular weight, thermal and 1 H NMR, 13 C NMR spectroscopic techniques. Bacillus subtilis, Escherichia coli and Candida albicans were employed to investigate the antibacterial properties of the generated compounds. Metal(II) complexes have been demonstrated to have strong antibacterial and antifungal properties. The protein PDB:6QF6 was utilized for molecular docking with low binding energy.