Abd_2024_Chem.Biodivers__e202403003

New Cd(II), Zn(II) and Cu(II)-chelates with cetirizine.2HCl (CETZ.2HCl) in incidence of 1,10 phenanthroline monohydrate (Phen.H2O) were synthesized in search of new biologically active compounds. The ligands and their chelates were described by 1H NMR, FT-IR, elemental analysis, UV-vis. spectrophotometry, thermal-analyses, molar conductance, X-ray-diffraction (XRD) and magnetic-susceptibility measurements. FT-IR demonstrated that CETZ.2HCl is bonded with metal ions, as a monodentate via carboxylate oxygen atom and Phen.H2O chelated via two nitrogen atoms. The molar conductivity data showed that the complexes were non-electrolytes, while XRD data supported that the compounds were crystalline. Density functional theory-(DFT) was utilized to gain insight into the compounds' optimized design. The effects of CETZ.2HCl and the complexes on the activity of Lipoprotein-(L)-lipase activity in mice were investigated. Unlike Cd(II) complex, all the other compounds exhibited significant increase in lipase activity, with reduction in triglycerides. Cu(II) and Zn(II) complexes showed robust hypolipidemic efficacy evidenced by lower levels of total cholesterol and LDL, concomitant with higher levels of HDL. Furthermore, Zn(II) complex was a safe alternative since it has a lower liver toxicity. Molecular docking demonstrated that Cu(II) and Zn(II) chelates exhibited greater affinities to lipase than the parent ligand. Finally, Cu(II) complex showed the highest antibacterial activity.