Synthesis, characterization, DNA binding, DFT, anticancer, antibacterial, and the effect of gamma irradiation of novel Co(II), Ag (I), and Cd (II) complexes with hydrazone derivatives

Abstract

Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycyl)-N-(p-tolyl)hydrazine-1-carbothioamide (H2LB). The structural makeup of the new compounds was clarified using analytical and spectroscopic techniques. Then, using the Gaussian09 software, geometry optimization was done for each synthesis. Furthermore, the compound's antibacterial and anticancer properties were evaluated against different types of bacteria and the HepG2 cell line using non-irradiated and irradiated complexes, where the complex (A1) is higher than them. It was proposed that only an intercalation or replacement technique was used when the ligand and complexes [Co(H2L)(NO3)2]H2O (B1, A1) interacted with CT-DNA. Calculations were made for the intrinsic binding constant Kb. According to a molecular docking study, the ligands and complexes revealed fascinating interactions with the amino acids in the ribosyltransferase active site. (Code: 3GEY).