Metal Complexes of quinolin-8-yl (1, 3-benzoxazol-2-ylsulfanyl) acetate: Spectral, XRD, thermal, molecular docking and biological evaluation

Abstract

The series of Co (II), Ni (II) and Cu(II) metal complexes quinolin-8-yl (1,3-benzoxazol-2ylsulfanyl)acetate (BZ) have been synthesized. All the complexes thoroughly characterized by different physicochemical and spectroscopic techniques (UV-Vis, IR, NMR and ESI-Mass). The powder XRD indicates the crystalline state and morphology of Ni (II) and Cu (II) metal complexes, the thermal stability of the metal complexes as been performed. In the current study, the synthesized compounds were evaluated for their antioxidant activity by using DPPH assay, Cu (II) metal complex exhibited higher antioxidant activity almost close to the standard BHT. In addition, antioxidant activity is correlated with docking interactions of human antioxidant enzyme receptor with the competitive inhibitor DTT (PDB: 3MNG), which showed greater binding interactions with metal complexes. The antimicrobial studies has been carried out against different bacterial and fungal strains and the results showed that metal complexes be more active than the ligand BZ. Keywords; Benzoxazole, metal complex, XRD, Antioxidant, molecular docking.