Synthesis , Characterization of some new Triazole derivatives from Piprazene Via Click chemistry , Molecular Docking and Biological activity studies

Several derivatives of piperazin have been recognized for a broad spectrum of pharmacological activities , so this study involved the synthesis of a series of novel triazole derivatives based on piperazine (2-(4-(prop-2-yn-1-yl)piperazin-1-yl)pyrimidine) and some organic azide via click chemistry in good yield . The reaction was monitored using thin-layer chromatography (TLC). All newly synthesized piperazine derivatives (1–5) were characterized by Fourier-transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (¹H-NMR), and (¹³C-NMR). Some physical properties were also measured, including color, retention factor (Rf) , m.p .

The biological activity of the compounds was tested against two microbial strains: one Gram-positive and and one Gram-negative (Escherichia coli), bacterium (Staphylococcus aureus) and one fungal strain (Candida albicans). The antibacterial activity of the compounds (1–5) was determined, it was shown that the derivatives had an exceptionally high degree of effectiveness at a certain concentration. Additionally, the antioxidant activity was evaluated using the (Phosphomolybdate) method, revealing that the derivatives exhibited significant antioxidant activity compared to ascorbic acid at a certain concentration, with compound (3) showing the highest antioxidant potential.

Molecular docking studies of the synthesized piperazine derivatives were also conducted against the 2X08 protein. The docking results showed varying binding affinities among the compounds, with compound 3 displaying the highest inhibitory effect, correlating with the biological assay results.