4856-80-8Relevant academic research and scientific papers
Synthesis, modelling and molecular docking of new 5-arylazo-2-chloroacetamido thiazole derivatives as antioxidant agent
Hossan, Aisha SM.
, (2020/01/21)
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.
