In silico Design, Synthesis and Antitubercular Activity of Some Metal Complexes Derived from Salicylaldehyde and Amino Acid

Abstract

Background: A new series of copper (II), cobalt (II), zinc (II), manganese (II), and iron (II) metal complexes were synthesized by the condensation of a novel Schiff base with various metal chlorides in ethanol. Schiff base was synthesized by reacting salicylaldehyde with L-glutamic acid and L-tyrosine dissolved in ethanol, respectively Methods: The structures of all the synthesized metal complexes (4a-e, 7a-e) were investigated using elemental analysis, FT-IR,1H NMR,13C NMR and MS spectral data. The metal complexes were also screened for their anti-bacterial, anti-fungal, and anti-tubercular activities against various tested strains. Results: Assessment of in silico ADMET properties of all metal complexes showed to be in accordance with Lipinski’s rule of five. Further enzymatic assay was aided by a molecular docking study of Enoyl CoA reductase (INHA) using Autodock Vina and evaluated by Autodock 4.0. Conclusion: The metal complexes, 4b,4c, 4d,7b and 7d, containing metals, like Zn, Co, and Fe, exhibited good anti-bacterial, anti-fungal and anti-tubercular activities against the tested strains.