Synthesis and antioxidant activity of six novel N-ferrocenylmethyl-N-(nitrophenyl)- and -N-(cyanophenyl)-acetamides: Cyclic voltammetry and molecular docking studies

Cyclic voltammetry (CV) assays were performed to measure superoxide anion radical (O–2-) scavenging activities of six novel N-ferrocenylmethyl-N-(nitrophenyl)-acetamides and N-fer­rocenylmethyl-N-(cyanophenyl)acetamides (FMA1-FMA6), followed by molecular docking simulations in silico toxicity prediction. The obtained values IC50 from CV indicated that all studied compounds showed promising activity against O.2- radicals, with the FMA1, FMA3, FMA4 possessing most significant potency. A study revealed interact amino acid residues glutathione reductase via hydrogen bonding hydrophobic interactions. compound was inactive enzyme having highest inhibitory concentration 2.61 µM lowest score -31.85 kJ/mol. Toxicity studies demonstrated among compounds, FMA4, FMA5, FMA6 are predicted be nontoxic.