Influence of the Structure on the Antioxidant Activity of Tetradentate Schiff Bases and their Copper(II) Complexes: Possible Mechanisms

Docking studies, antitumor and antioxidant evaluation of newly synthesized porphyrin and metalloporphyrin derivatives

“…The obtained results showed that compounds 2a and 4 have the ability to trap the free radicals and displayed antioxidant capacity higher than ascorbic acid (Vitamin C). The copper (II) complex 2a showed high antioxidant activity than its corresponding ligand, this result is in a great agreement with previously reported work [67]. Moreover, the presence of four hydroxy groups in compound 4 as phenolic substituents increase the antioxidant capacity.…”

DFT/TDDFT insights into the chemistry, biochemistry and photophysics of copper coordination compounds

“…The inuence of the structure on the antioxidant activity of a series of Schiff bases and their copper(II) complexes as well as possible mechanisms of antioxidant activity were investigated by DFT calculations. 161 Calculated quantum-chemical descriptors provided insight to the reaction mechanism of the scavenging/antioxidant activity of tetradentate Schiff bases and their copper(II) complexes and two different reaction mechanisms were proposed. Dipole moment, bond dissociation energy, charge on oxygen atoms and charge on hydrogen atoms on N7 and N10 show high correlation with antioxidant activity of the investigated Schiff bases.…”

Anion-Dependent Synthesis of Cu(II) Complexes with 2-(1H-Tetrazol-5-yl)-1H-indole: Synthesis, X-Ray Structures, and Radical Scavenging Activity

“…Different geometries produce different ligand fields, which in turn affect energetic levels and splitting of d-orbitals. This consequently affects both the kinetic and thermodynamic behavior of the DPPH quenching reaction [ 22 , 29 , 30 ].…”