TY - JOUR
TI - Copper(II) complexes with non–steroidal anti–inflammatory drugs: Structural characterization, in vitro and in silico biological profile
AU - Malis, G.
AU - Geromichalou, E.
AU - Geromichalos, G.D.
AU - Hatzidimitriou, A.G.
AU - Psomas, G.
JO - Journal of Inorganic Biochemistry
PY - 2021
VL - 224
TODO - null
SP - null
PB - ELSEVIER SCIENCE INC 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN - 0162-0134
TODO - 10.1016/j.jinorgbio.2021.111563
TODO - antioxidant;  bovine serum albumin;  calf thymus DNA;  clonixin;  coordination compound;  copper;  DNA;  fenoprofen;  human serum albumin;  hydrogen peroxide;  ibuprofen;  intercalating agent;  loxoprofen;  nonsteroid antiinflammatory agent;  phenylpropionic acid derivative;  scavenger, animal;  chemistry;  human;  molecular docking;  procedures;  X ray crystallography, Animals;  Anti-Inflammatory Agents, Non-Steroidal;  Antioxidants;  Clonixin;  Coordination Complexes;  Copper;  Crystallography, X-Ray;  DNA;  Fenoprofen;  Free Radical Scavengers;  Humans;  Hydrogen Peroxide;  Ibuprofen;  Intercalating Agents;  Molecular Docking Simulation;  Phenylpropionates;  Serum Albumin, Bovine;  Serum Albumin, Human
TODO - Six novel copper(II) complexes with the non–steroidal anti–inflammatory drugs ibuprofen, loxoprofen, fenoprofen and clonixin as ligands were synthesized and characterized by diverse techniques including single–crystal X–ray crystallography. The in vitro scavenging activity of the complexes against 1,1–diphenyl–picrylhydrazyl and 2,2′–azinobis(3–ethylbenzothiazoline–6–sulfonic acid) free radicals and the ability to reduce H2O2 were studied in the context of the antioxidant activity studies. The complexes may interact with calf–thymus DNA via intercalation as revealed by the techniques employed. The affinity of the complexes for bovine and human serum albumins was evaluated by fluorescence emission spectroscopy and the corresponding binding constants were determined. Molecular docking simulations on the crystal structure of calf–thymus DNA, human and bovine serum albumins were also employed in order to study in silico the ability of the studied compounds to bind to these target biomacromolecules, in terms of impairment of DNA and transportation through serum albumins, to explain the observed in vitro activity and to establish a possible mechanism of action. © 2021 Elsevier Inc.
ER -