Synthesis and molecular docking studies of thiazolidineones with peroxiredoxins as antioxidant agents

Antioxidants either slow or stop the oxidation processes that occur due to the presence of oxygen or reactive oxygen species in the environment. The schiff base was synthesised and cyclised with thioglycolic acid to yield thiazolidineones (B1-B9). Structural characterisation was performed by IR, Mass and ¹H NMR spectral studies. The compounds were checked for antioxidant activity by analysing the interactions with peroxiredoxins (1URM), and Among them, the top-scored compounds were B6 and B4, excellently interacting with the targets. According to the physicochemical and ADME properties of Qikprop, synthesised compounds can be considered druglike molecules. Antioxidant activity studies were conducted using the DPPH method, and the docking results were found from the in vitro studies. Based on these results, it is concluded that the synthesised compounds can be utilised as leads as antioxidant agents, which can be further verified by conducting pharmacological studies.