Chemical speciation, antioxidant activity and molecular docking of copper(II) complexes with pyridinedicarboxylic acids and different ligands of low molecular mass

Del Carpio, Edgar and Serrano, Maria L. and Hernandez, Lino and Madden, Waleska and Lubes, Vito and Landaeta, Vanessa R. and Rodriguez-Lugo, Rafael E. and Lubes, Giuseppe and Stern, Anita and Ciangherotti, Carlos and Jimenez, Lissette (2022) Chemical speciation, antioxidant activity and molecular docking of copper(II) complexes with pyridinedicarboxylic acids and different ligands of low molecular mass. PHYSICS AND CHEMISTRY OF LIQUIDS, 60 (6). pp. 943-963. ISSN 0031-9104, 1029-0451

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Abstract

Analyses of potentiometric measurements were conducted on ternary complexes of copper(II) with dipicolinic acid and quinolinic acid, as well as lactic acid, oxalic acid, citric acid, and phosphoric acid, which are components of blood plasma. Studies on chemical speciation showed that ternary compounds were more likely to be formed. In systems with quinolinic acid, the solubility was small, and most complexes precipitated at pH <= 2. In situ isolated ternary and binary complexes of CuDiPic(H2O)(2) were evaluated for antioxidant activity, as shown by their inhibiting activity of superoxide anion (O-2.(-)), which demonstrates copper(II) complexes provide protective effects. Docking studies of ligands with a protein kinase revealed that the Cu(II) metal centre is crucial for the successful interaction of the complex with the receptor's active site.

Item Type: Article
Uncontrolled Keywords: OXIDATIVE STRESS; EQUILIBRIUM-CONSTANTS; METAL; DNA; SUPPLEMENTATION; ANTIBACTERIAL; INHIBITORS; DISCOVERY; CHEMISTRY; TARGET; Chemical equilibrium; chemical speciation; inhibition; oxidative stress; molecular docking
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie
Depositing User: Dr. Gernot Deinzer
Date Deposited: 02 Feb 2024 07:08
Last Modified: 02 Feb 2024 07:08
URI: https://pred.uni-regensburg.de/id/eprint/58279

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