Synthesis, spectroscopic characterization, biological screening and POM analysis of potentially bioactive copper(II) carboxylate complexes

Here we are reporting the synthesis, characterization of four novel copper(II) complexes with carboxylate ligand and their evaluation for biological applications. The complexes have general formulas C22H18CuN4O12, C32H26CuN6O12, C27H23CuN5O12 and C34H26CuN6O12. The synthesized complexes were characterized by FT-IR and elemental analyses carried out through EDX. The deprotonation of the carboxylate ligand, 4-(2-methoxy-5-nitrophenylamino)-4-oxobut-2-enoic acid, was observed in FT-IR spectrum, indicating that complexation happens via the carboxylate moiety's oxygen. In complexes 1 and 3, the value of Δν value is in between 120-180 cm-1 showing the bridging mode of the carboxylate moiety while in complexes 2 and 4, its value is greater than 180 cm-1 indicating the monodentate binding mode. The findings of antimicrobial activity revealed that the complexes have adequate antibacterial and antifungal properties. The anti-promastigote analysis results showed that the complexes 1 and 4 have significant activity as compared to the standard drug. The binding mode of complexes with DNA was confirmed by UV-Visible spectroscopy and viscosity measurements and the results showed that complexes interact with DNA through intercalative mode. A new and efficient strategy was applied through POM (Petra, Osiris and Molinspiration) analyses for determining the toxicity assessment, bio-availability and drug score of the synthesized complexes. The results showed that the complexes have good bioavailability and drug scores. KEY WORDS: Copper(II) carboxylate complex, DNA binding, Anti-promastigote analysis, Cytotoxicity, POM analysis, Docking study Bull. Chem. Soc. Ethiop. 2022, 36(1), 57-71. DOI: https://dx.doi.org/10.4314/bcse.v36i1.6