Unfolding the Antibacterial Activity and Acetylcholinesterase Inhibition Potential of Benzofuran-Triazole Hybrids: Synthesis, Antibacterial, Acetylcholinesterase Inhibition, and Molecular Docking Studies

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چکیده

In this study, a series of novel benzofuran-based 1,2,4-triazole derivatives (10a–e) were synthesized and evaluated for their inhibitory potential against acetylcholinesterase (AChE) bacterial strains (E. coli B. subtilis). Preliminary results revealed that almost all assayed compounds displayed promising efficacy AChE, while compound 10d was found to be highly potent inhibitor AChE. Similarly, these 5-bromobenzofuran-triazoles 10a–e screened subtilis QB-928 E. AB-274 evaluate antibacterial in comparison the standard drug penicillin. Compound 10b most active among scaffolds, with an MIC value 1.25 ± 0.60 µg/mL subtilis, having comparable therapeutic penicillin (1 1.50 µg/mL). 10a excellent strain 1.80 0.25 commercial (2.4 1.00 Both benzofuran-triazole molecules showed larger zone inhibition. Moreover, IFD simulation highlighted as lead anticholinesterase scaffold conforming block entrance, limiting swinging gate, disrupting catalytic triad further supported its significant AChE inhibition IC50 0.55 µM. Therefore, might candidate development Alzheimer’s disease treatment, may agents.

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ژورنال

عنوان ژورنال: Molecules

سال: 2023

ISSN: ['1420-3049']

DOI: https://doi.org/10.3390/molecules28166007