article · ACS Omega
Researchers have synthesised a novel series of 1,2,3-triazole-8-quinolinol hybrid compounds using a one-step chemical reaction that delivers good yields. The chemical structures of the resulting molecules were confirmed using standard spectroscopic and analytical techniques. Laboratory testing demonstrated that these hybrid molecules possess antibacterial properties against both Gram-positive and Gram-negative bacteria, including Escherichia coli, Xanthomonas fragariae, Staphylococcus aureus, and Bacillus subtilis. Among the tested molecules, a compound designated as Hybrid 7 displayed the strongest activity, performing comparably to the standard reference antibiotic nitroxoline. Analysis of the relationship between molecular structure and biological activity revealed that electron-donating chemical groups positioned on the triazole ring are essential for antibacterial potency. Computational simulations, molecular docking, and pharmacological profiling were also conducted to evaluate how these molecules interact with biological targets and assess their preliminary suitability as prospective therapeutic agents.
Bacterial infections remain a critical health concern worldwide, driving a continuous need for novel antimicrobial therapies. By developing a straightforward synthesis protocol for new hybrid molecules that match the efficacy of an existing commercial antibiotic in laboratory tests, this research identifies promising chemical candidates that could inform the future development of treatments against common and resilient bacterial pathogens.
This research is at an early discovery stage, focused on laboratory synthesis, in vitro antimicrobial testing, and computational modelling. The findings could potentially interest pharmaceutical developers and medicinal chemists searching for lead compounds to combat bacterial infections. Substantial further work, including in vivo efficacy testing, safety profiling, formulation development, and clinical trials, will be required before any commercial therapeutic products can emerge.
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A new series of 1,2,3-triazole-8-quinolinol hybrids were synthesized in good yields using monosubstituted acetonitriles and 5-azidomethyl-8-quinolinol as the starting reagents via a one-step protocol. The structures of 1,2,3-triazole-8-quinolinol hybrids were characterized by nuclear magnetic resonance (1H and 13C NMR) spectroscopy and elemental analysis. Antibacterial activity in vitro of all the synthesized hybrids was investigated against Escherichia coli (E. coli), Xanthomonas fragariae (X. fragariae), Staphylococcus aureus (S. aureus), and Bacillus subtilis (B. subtilis) applying the methods of disk diffusion and minimal inhibition concentration (MIC). Hybrid 7 exhibited excellent antibacterial capacity, with an MIC value of 10 μg/mL against S. aureus and 20 μg/mL against B. subtilis, E. coli, and X. fragariae, which were comparable to those that of the standard antibiotic nitroxoline. A structure–activity relationship (SAR) study of 1,2,3-triazole-8-quinolinol hybrids showed that introducing electron-donating substituents in the 1,2,3-triazole ring at the 4-position is important for activity. Quantum chemical calculations have been undertaken to employ the Gaussian software in the B3LYP, HF, and M062X basis sets using 3-21g, 6-31g, and SDD levels to further explain linkages within the antibacterial findings. Furthermore, molecular docking investigations were also conducted to investigate the binding affinities as well as the interactions of some hybrids with the target proteins. An absorption, distribution, metabolism, excretion, and toxicity (ADME/T) investigation was carried out to scrutinize the viability of employing the 1,2,3-triazole-8-quinolinol hybrids as medicines.
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DOI: 10.1021/acsomega.4c03906
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