Design, Antioxidant Activity and Molecular Docking Studies of 3-amino-1-phenyl-1H-benzo[f]thiochromene-2-carbonitrile

P. J. Bindu, T. R. Ravikumar Naik

Abstract: In the current study, we have developed the one-pot multicomponent green synthesis of 3-amino-1-phenyl-1H-benzo[f]thiochromene-2-carbonitrile, in a single molecular framework. The advances of this strategy include high product yields (90%), the development of cost-effectiveness, and a straightforward workup procedure that does not require any additional purification steps. The obtained structures of these newly synthesized compounds were confirmed by spectral analyses. The new compounds were tested for antioxidant and molecular docking studies. The free radical scavenging properties of compounds were examined by determining the capacity to scavenge superoxide anion formation (NADH), DPPH, hydrogen peroxide (H2O2) scavenging, and hydroxyl (.OH) scavenging activities. New compounds (4a-i) showed promising antioxidant activities having strong inhibitory activity. The molecular docking study against crystal structure of NADPH oxidase obtained supporting docking scores and showed notable binding interactions such as H-bond and hydrophobic.

Keywords: 3-amino-1-phenyl-1H-benzo[f]thiochromene-2-carbonitrile, Antioxidant, Free radical, DPPH, NADH, Molecular docking

How to Cite?: P. J. Bindu, T. R. Ravikumar Naik, "Design, Antioxidant Activity and Molecular Docking Studies of 3-amino-1-phenyl-1H-benzo[f]thiochromene-2-carbonitrile", Volume 14 Issue 11, November 2025, International Journal of Science and Research (IJSR), Pages: 1360-1366, https://www.ijsr.net/getabstract.php?paperid=SR251117123131, DOI: https://dx.doi.org/10.21275/SR251117123131