Synthesis, molecular docking and anti-mycobacterial evaluation of new imidazo[1,2-a]pyridine-2-carboxamide derivatives

• A new series of imidazopyridine amide derivatives (5a–q) were synthesized.
• In vitro anti-mycobacterial evaluation of 5a–q against Mtb H37Rv was carried out.
• In vitro cytotoxicity of 5a–q was assessed by MTT assay against HEK-293T cells.
• Compounds 5j, 5l and 5q were showed good anti-TB activity and lowest toxicity.
• Docking studies of the synthesized compounds were carried out.

New anti-tubercular agents, imidazo[1,2-a]pyridine-2-carboxamide derivatives (5a–q) have been designed and synthesized. The structural considerations of the designed molecules were further supported by the docking study with a long-chain enoyl-acyl carrier protein reductase (InhA). The chemical structures of the new compounds were characterized by IR, 1H NMR, 13C NMR, HRMS and elemental analysis. In addition, single crystal X-ray diffraction has also been recorded for compound 5f. Compounds were evaluated in vitro against Mycobacterium tuberculosis H37Rv, and cytotoxicity against HEK-293T cell line. Amongst the tested compounds 5j, 5l and 5q were emerged as good anti-tubercular agents with low cytotoxicity. The structure-anti TB activity relationship of these derivatives was explained by molecular docking.

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