Syntheses, Crystal Structures, Dft, Molecular Docking And Inhibition Studies Of Jack Been Urease By Nickel (Ii) And Copper (Ii) Schiff Base Complexes

Ni (II) and Cu (II) complexes [Ni(L)(2)] (1) and [Cu(L)(2)]center dot H2O (2) was synthesized using a Schiff base (HL) ligand which was formed by 5-bromosalicylaldehyde with 2-methoxybenzeneamine. The crystal structure of the ligand and its complexes were determined through crystal X-ray diffraction. The most plausible geometry for the 1:2 complexes appeared to be distorted octahedral. The TG-DTA analysis of complex (1) and (2) exhibits an exothermic peaks at around 367-393 degrees C. Their inhibition studies was performed on urease. Complex (1) and (2) can inhibit urease activity, with IC50 values of 2.10 +/- 0.06 and 2.10 +/- 0.10 mu mmol L-1, respectively. Their DFT study were also discussed.