Synthesis, Identification, and Docking Study of Novel Derivatives of Aziridine

Abstract

Aziridines are three-membered ring heterocycles that include nitrogen and are well-known for their employment as reactive intermediates in the production of chiral amino alcohols, azomethine ylides, and derivatives of amino acids. The current study was based on the synthesis, identification, docking study and evaluation of antioxidant potential of novel derivatives of aziridine. The novel derivatives of aziridine were synthesized and identified the synthesized aziridine derivatives based on physicochemical properties i.e., boiling point, Rf value, FTIR, NMR and Mass spectroscopy and Docking study. With a binding energy of -6 to -9 Kcal/mol, every chemical has demonstrated effective docking inside the antioxidant activity protein's active region. We contrasted the anticipated docking data with proteins known to have antioxidant action. In results, the % yield was observed as 48.24, 49.72, 48.39 and 49.12 in compound A4, A7, A10 and A12, respectively. Highest Rf values were observed in A3, A5, A7 and A 11 as 0.74, 0.76, 0.77, and 0.74, respectively. A4 showed boiling point 210ºC. Based on docking study, all the compounds were found active, however compound A1, and A4 were demonstrated the highest binding energy (affinity). Derivatives of aziridine A2, A3, A5, A6, A8, A9, A10, A11, A12 were found also found active with some moderate binding affinity. It concluded that 12 novel derivatives of aziridine were synthesized and characterized with their physicochemical properties and spectral analysis (NMR, Mass, FTIR). In docking study, compounds A1 and A4 demonstrated the highest binding affinity among all 12 aziridine derivatives. Thus, active aziridine derivatives might be used in the evaluation of the biological potential. It suggests to perform the acute oral toxicity of the synthesized aziridine derivatives and antioxidant activity.