Touhami, Lanez,z, Benamara, Hacen, Adaika, Aicha2023-05-312023-05-312022-05-01Touhami Lanez, Hacen Benamara, Aicha Adaika, Elhafnaoui Lanez, Ali Khenoufa, Nadjiba.IN VITRO AND IN SILICO ANTIOXYDAN. Journal of Fundamental and sciences. vol.14, no 2. May 2022. Faculty of exact sciences. university of el oued. [visited in 01/01/2022. available from [copy the link here]http://dspace.univ-eloued.dz/handle/123456789/25193articalThe antioxidant activity of 3-nitrophenylferrocene (3NPF) and 3,3'-nitrophenylferrocene (3,3'NPF) and their reduced amines was measured using superoxide anion radical ( 2 O −. ). Binding parameters such as binding free energies and binding constants were also calculated. G sign and values suggest respectively the spontaneity and a strong interaction between the radical 2 O.− and all studied compounds. Molecular docking study showed that 3NPF is most inreactive compound against glutathione reductase enzyme having the the lowest docking scores of -16.96 kJ/mol. The two reduced forms were predected to be non-toxic and are not inhibitors of CYP450 2C19, 2D6 isoenzymes which suggests a decrease in their plasma concentrations and a rapid elimination route.enCyclic voltammetry, superoxide anion radical, binding parameters, toxicity, docking, Glutathione.Article