With morpholinium counter ion a set of new complexes of Copper(II), Cobalt(II), Nickel(II) and Zinc(II) ions were synthesized and characterized. UV-visible, IR, powder XRD and thermal studies have been utilized to characterize the synthesized complexes. The structures of the complexes were optimized using DFT studies and screened for their antioxidant and anti-inflammatory activities. The results of In vitro antioxidant and anti-inflammatory activity studies indicated the appreciable biological activity of the synthesized complexes. All the synthesized complexes exhibited very good stability under physiological conditions for 72 h. Molecular docking studies performed with cyclooxygenase enzymes (COX-1 and COX-2) revealed the significant interaction between the complexes and the enzymes through many hydrogen bonds with very good binding energies.

Metal complexes, DFT studies, Molecular docking, Anti-inflammatory, Antioxidant