Synthesis, spectral studies, biological evaluation and molecular docking studies of metal complexes from coumarin derivative

Abstract

Metal complexes from heterocyclic ligand systems especially coumarin derivative received remarkable attention due to their pharmaceutical activities. In view of the biological importance of heterocyclics, some transition metal complexes derived from coumarin have been prepared using bivalent metal ions such as manganese, cobalt, nickel, copper and zinc. Analytical and spectral studies (IR, NMR and UV) proved that ligand (CUAP) coordinate in a tridentate fashion via azomethine nitrogen, carbonyl oxygen and phenolate oxygen. The covalent nature of copper(II) complex is confirmed from ESR spectral study. X-ray diffraction study of CUAP showed crystalline nature and manganese(II), nickel(II) complexes are in amorphous form. The fluorescence of CUAP and complexes showed high fluorescence at ∼750 nm with decreased intensity with excitation wavelength of 380–390 nm. The vitro anticancer activities have been studied against two human cancer cell lines such as Breast Cancer Cell Line (MCF-7) and Leukemia Cancer Cell Line (K-562) at different concentrations. Cobalt(II) complex showed more anticancer effect than the other complexes. DNA cleavage property was determined using gel electrophoresis method which exhibited moderate activity. The antifungal activities were analyzed against the tested organisms such as Candida albicans and Aspergillus niger and showed moderate activity compared with standard Clotrimazole. Minimum Inhibitory Concentration for antibacterial efficiency was studied against Escherichia coli and Staphylococcus aureus. All compounds showed excellent antibacterial activity. Antioxidant properties were studied using DPPH radical scavenging assay.The zinc(II) and nickel(II) complexes showed greater activity than ligand. The ligand and cobalt(II) complex were studied using molecular docking against receptor CDK2 and the complex has better binding affinity.