New Metal Complexes Incorporating Schiff Base Ligand Based on Hydrazide Moiety: Synthesis, Spectral Characterization, Electrochemical behavior, and Molecular Docking

Document Type : Original Article

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Department of Chemistry, Faculty of Science, Semnan University, Semnan, Iran

Abstract

In the last four years, the coronavirus-infectious disease and the preparation of compounds with suitable biological properties as medicine to prevent and deal with these diseases have attracted the attention of the medical community and the World Health Organization (WHO). Among the chemical compounds that have shown appropriate biological and medicinal properties against various diseases, including cancer, hepatitis, and corona, are compounds of hydrazide derivatives. In the present work, two new copper complexes were synthesized starting from a 4-hydroxybenzohydrazide Schiff base ligand with benzaldehyde derivatives. Elemental analysis, spectral data (FT-IR and UV-Vis spectroscopic techniques), and cyclic voltammetry (CV) were used to confirm their structures. The inhibitory effect of the studied copper complexes against two coronaviruses, proteins with codes 6Y2F and 6M0J, was evaluated using the molecular docking method. The results indicate that these compounds exhibit better performance, with a total system energy of approximately -81.34 kcal/mol for structure (1) (associated with protein 6Y2F) and a total energy of -135.68 kcal/mol for structure (2) (related to the coronavirus 6M0J). These values are comparable with those reported for similar structures, further supporting the potential efficacy of these compounds. As such, it is suggested that these compounds could serve as promising candidates for addressing coronavirus infections. By assessing the inhibitory properties of copper complexes through molecular docking analyses, these findings offer valuable insights into the potential utility of these compounds in combating coronaviruses.

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Applied Chemistry Today
Volume 19, Issue 73
in progress...
December 2025
Pages 253-268

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