Study of novel bioactive n, n'-bis (3-aminopropyl) piperazine derivatives: Green synthesis, spectral characterization, in silico docking and biological activity

Abstract

Bioactive properties of piperazine derivatives are well known for its biological applications. In general, synthesis of bioactive compound is laborious and time consuming process. In the present investigation, the Microwave was used to synthesise two imines compounds using piperazine and various aldehydes in a quantitative yield. IR, NMR, UV, and elemental analysis techniques were used to characterise the compound 2a and 3a. In vitro method and docking experiments were used to investigate biological activities novel piperazines compounds. The antimicrobial activity of the synthesised compounds showed better results against Pseudomonas aeruginosa, with a MIC of 11.9 µg/ml. The antioxidant properties of the synthesised compounds were found to be high with the compound 2a has the smallest LC50 value (15 µg/ml). In silico docking of the BRCA1 protein in breast cancer cells confirmed an excellent binding affinity value of −7.10 kcal/mol. The findings of the anticancer analysis on the MDA MB-231 breast cancer cell line indicate that the drug-treated cells have a uniform structure with few abnormalities. Therefore, the synthesised compounds can be used in different biological applications.