Design, synthesis, molecular docking and antimicrobial activities of novel triazole-ferulic acid ester hybrid carbohydrates

In spite of search for newer and effective antibacterial drugs, nature has paved way to identify lead molecules from plants to treat chronic diseases. In an effort to develop biologically active antibacterial and antifungal agents, the ester of a natural compound ferulic acid (FA) bearing 1,2,3-triazole core and different sugar moieties have been designed and synthesized by Cu(I)-catalysed click dipolar cycload-dition. The chemical structures of the new derivatives were characterized using different spectroscopic techniques. The bactericidal and fungicidal activities were evaluated for synthesized clicked 1,2,3-triazoles compounds. Most of the compounds exhibited moderate to good activity against some strains of bacte-ria and fungi. Derivative 12 have shown superior antibacterial activity against G-positive Bacillus cereus. Appreciable antifungal activity was observed for all compounds in comparison with cyclohexamide the reference standard drug used. The molecular docking assessments indicated that most compounds exhib-ited good binding affinity with the target proteins of the microorganisms. Moreover, reports of physico-chemical properties, pharmacokinetics, and drug-likeness for all derivatives showed that compound 12 is a potential candidate to develop novel antimicrobial drug.(c) 2022 Published by Elsevier B.V.

Automated summary

A series of compounds with potential antibacterial and antifungal activities were designed and synthesized, among which derivative 12 showed superior antibacterial activity against G-positive Bacillus cereus, and all compounds exhibited appreciable antifungal activity.