Computational, Experimental and Pharmacological Studies of Cu(II), Co(II) and Ni(II) Metal Complexes containing Azo Schiff base Ligand

Abstract

The metal complexes containing Cu(II), Co(II) and Ni(II) metal ions were synthesised in the molar ratio of 1:2 [M:L] and azo Schiff base ligand as a primary ligand. The synthesized metal complexes were confirmed by the different analytical and spectroscopic techniques like UV-Visible, FT-IR, NMR, LC-MS and P-XRD techniques. The binding interaction of synthesized metal chelates with CT-DNA has been investigated by absorption spectra, viscosity measurements and thermal denaturation techniques. The mode of binding of the metal complexes with calf-thymus DNA has been explored. The metal complexes [Cu(II), Co(II) and Ni(II)] intercalated between the base pairs of the CT-DNA tightly with intrinsic binding constant (Kb) in Tris - HCl buffer containing 50 mMNaCl buffer. The DNA cleavage activities of the complexes were clearly assayed by using pUC-18 DNA which was monitored by the gel electrophoresis method. The antibacterial activity was carried out by a well-diffusion method against gram-positive bacteria S. aureus and gram-negative bacteria Shigella. Amylase inhibitory activity of pooled fractions was carried out according to the standard method with minor modification (antidiabetic activity). The in silico molecular docking was achieved with the DNA binding receptor PDB ID: 1E3Y taken from RCSB Protein Data Bank (www.rcsb.org/pdb). The receptor structre was prepared before use in docking study using protein preparation module of HEX 8.2 modelling package.