Synthesis, Characterization, biological Activities and Docking Simulations 1,3,4-Oxadiazole

What is it about?

A new series of 1,3,4-oxadiazoles incorporating benzimidazole and pyridine scaffolds in a single molecular framework was reported. The structures of the synthesized derivatives were assigned by IR, NMR and mass spectral techniques. The hybrid compounds were evaluated for their antimicrobial, anti tubercular and antioxidant activities. In addition, docking simulations were performed to study ligand-protein interactions and to determine the probable binding conformations. Molecule 4a has shown anti-tubular activities with MIC 1.6 μg/ml. As compared to ascorbic acid activities (IC50 = 62.91 μg/ml), molecule 4e exhibited better antioxidant activities (IC50 = 24.85 μg/ml). Also, molecule 4e has shown significant antimicrobial activities. The synthesized derivatives have exhibited various medicinal activities and could be emerged as lead compounds and further explored as potential therapeutic agents.

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