Pyridine-Derived Chelates: Synthesis, Characterization, Antimicrobial screening and their Potential as Anti- H. Pylori, Antibreast Cancer and Anti-COVID-19 Agents

Abstract

The metal complexes of a novel pyridine-derived Schiff base ligand. 2-((pyridin-2-ylmethylene)amino)phenol (HL) was investigated. The resultant complexes were identified by elemental analysis, molar conductivity and spectral techniques. Thermogravimetry (TG/DTG) examination further confirmed the presence of water molecules in all studied complexes.Chemical properties of the compounds, such as chemical hardness, dipole moments and HOMO-LUMO energy gaps, were studied using Density Functional Theory (DFT). The computation indicated that the preferred geometry of the complexes was a distorted octahedral structure.

Biological activity of the synthesized compounds was evaluated. They possessed broad-spectrum antimicrobial activities against a selection of bacteria, yeasts and fungi tested, with the Zn(II) complex as the most effective. The complexes also stopped MCF-7 cells (breast carcinoma) from growing into cancer. Their anticancer activity was strongest. In addition, the test shows that these compounds' toxicity toward normal VERO cells is lower than cisplatin. Molecular docking based on DFT was used to study how the compounds interact with several protein receptors splice on their C-terminal tail, with particular attention paid to their inhibitability by H. Pylori, Tumor, and COVID-19.