Potentiometric studies and molecular docking of quinoline Schiff base and its metal complexes

4-{(8-hydroxyquinolin-7-yl)methyleneamino}-1,2-dihydro-1,5-dimethyl-2-phenylpyrazol-3-one (hl) has been synthesized and characterized by different spectroscopic techniques. molecular docking studies were also performed to illustrate the binding mode of the schiff base compound hl. docking studies were performed on protein 3hp5- oxidoreductase receptor of breast cancer. the proton-ligand dissociation constant of the ligand hl and metal-ligand stability constants of its complexes with metal ions (mn2+,co2+,ni2+ and cu2+) have been determined potentiometrically in 0.1 m kcl and 20 % (by volume) dmf-water mixture. the stability constants of the formed complexes increases in the order mn2+,co2+,ni2+ and cu2+. the effect of temperature was studied at 298,308 and 318 k and the corresponding thermodynamic parameters (δg,δh and δs) were derived and discussed. the dissociation process is non-spontaneous,endothermic and entropically unfavorable. the formation of the metal complexes has been found to be spontaneous,endothermic and entropically favorable.