Abstract
The reactions for 5-arylazo-2-chloroacetamido-4-methylthiazole with various 2-mercaptobenzothiazole and malononitrile were afforded the corresponding thiobenzothiazolyl and amino-pyrrolidinone derivatives, respectively. The prepared 4-methyl-5-(phenylarylazo)thiazol-2-yl derivatives have been elucidated by spectral performances (FT-IR, 1HNMR and MS) and elemental analyses. The synthesized compounds were subjected to quantum chemical calculations at DFT/B3LYB level to shed light on their electronic and chemical reactivity properties. Molecular docking for the synthesized derivatives were carried out to estimate their Antioxidant efficacy against (PDB code: 3MNG) as antioxidant enzyme receptor. The docking results promoted us to apply these derivatives for in vitro Antioxidant activity study. All thiazol-acetamide thiazolyl-pyrrole analogues were screened experimentally to evaluate their antioxidant activity through DPPH radical spectrophotometric technique in comparable with ascorbic acid that utilized as positive control.
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•New 5-(phenylarylazo)thiazol-2-yl derivatives were isolated and characterized.•The electronic and chemical reactivity properties were investigated via DFT/B3LYB.•The Molecular docking of these derivatives estimated their Antioxidant efficiency.•The antioxidant activity were screened experimentally through DPPH technique.