期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2016
卷号：7
期号：6
页码：1934-1947
出版社：University of Mohammed Premier Oujda
摘要：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 (Mn 2+ , Co 2+ , Ni 2+ and Cu 2+ ) 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 Mn 2+ , Co 2+ , Ni 2+ and Cu 2+ . The effect of temperature was studied at 298, 308 and 318 K and the corresponding thermodynamic parameters (.G, .H and .S) 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.
