Synthesis, antibacterial and anticancer activity, and docking study of aminoguanidines containing an alkynyl moiety.

Two series of aminoguanidines containing an alkynyl moiety were designed, synthesised, and screened for antibacterial and anticancer activities. Generally, the series with a 1,2-diphenylethyne exhibited better antibacterial activity than the other series () holding 1,4-diphenylbuta-1,3-diyne moiety antibacterial activity. Most compounds in series showed potent growth inhibition against the tested bacterial strains, with minimum inhibitory concentration (MIC) values in the range 0.25-8 µg/mL. Compound demonstrated rapid and persistent bactericidal activity at 2 × MIC. The resistance study revealed that resistance of the tested bacteria towards is not easily developed. Molecular docking studies revealed that compounds and bind strongly to the LpxC and FabH enzymes. Moreover, excellent activity of selected compounds against the growth of cancer cell lines A549 and SGC7901 was also observed, with IC values in the range 0.30-4.57 µg/mL. These findings indicate that compounds containing the aminoguanidine moiety are promising candidates for the development of new antibacterial and anticancer agents.