Complexes containing zinc: synthesis, characterization, molecular docking, anticipated pkCSM value, and anticipated biological implications

Abstract

The application of transition metal complexes as biochemical, medicinal, analytical, pharmacological, agronomic, antibacterial, and anticancer agents is gaining attention.There are numerous medicinal uses for sulfonamides and metal-sulfonamide complexes. The pharmacokinetic profile describes the process by which a compound is absorbed, distributed, metabolized, and eliminated from the body. The effectiveness of a drug is influenced by its potency, toxicity, and pharmacokinetics. Molecular docking allows for the development of medications based on their structures by predicting the preferred binding orientation of molecules in stable complexes. In order to optimize drug-like qualities, drug development must strike a balance between pharmacokinetics, effectiveness, and safety. The enhanced activities of zinc ligand complexes are generally explained by agar diffusion method. Researchers used the agar diffusion method to conduct in vitro antibacterial activity studies on the complexes. The results of these studies revealed that the complexes exhibited higher levels of activity than the precursor ligand. In particular, the Zn(II) complex had a higher percent activity index (62, 90%) than both the Cu(II) complex (54, 82%) and the Ni(II) complex (41, 68%) when tested against A. niger and C. albicans, respectively. In order for a novel medicine to be presented to the clinic, it is essential that it reaches the therapeutic target in adequate quantities to safely provide the desired physiological impact. While the pharmaceutical's perfect binding qualities are significant, they alone are not sufficient.