Discovery of oxazole-dehydrozingerone based hybrid molecules as potential anti-tubercular agents and their docking for Mtb DNA gyrase

Abstract

The oxazole-dehydrozingerone hybrid molecules (4a-j) and oxazole-dehydrozingerone-thiophene derivatives (6a-e) were synthesized via cyclisation, coupling and aldol condensation reactions. Final compounds were characterized by FTIR, 1H and 13C NMR spectroscopy. Synthesized compounds were screened against Mycobacterium tuberculosis H37Rv, MDR, and XDR strains. Compound 4f showed potential activity of 6.25 µg/mL against H37Rv, while compound 4c exhibited potential activity of 12.5 µg/mL. For the XDR strain, structure 4a, 4b demonstrated moderate efficiency of 12.5 µg/mL. All of the synthesized molecules were tested in comparison with a standard drug. Computational docking studies were performed for the active compound 4f against the enzyme Mtb DNA Gyrase. The outcomes of the presented research will broadly help to the researchers working on developing antituberculosis drugs.