SYNTHESIS OF NOVEL IMIDAZOLE–PYRAZOLE–TRIAZOLE HYBRIDS, BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDIES
A series of novel imidazole-pyrazole-triazole hybrids (8a-8h) was developed through a sequential syntheticapproach involving copper-catalysed azide alkyne cycloaddition followed by the Debus-Radziszewski imidazolesynthesis. The structures of all compounds were confirmed by several spectroscopic techniques such as NMRandFTIR. The synthesized molecules were evaluated for their antimicrobial efficacy against a spectrumof Gram- positive (S. aureus, B. subtilis) and Gram-negative bacteria (E. coli, P. aeruginosa), along with fungal pathogens. IC50 values were also calculated for antioxidant properties. Many of the new imidazole derivatives displayedremarkable activity, with several derivatives notably going beyond the antimicrobial potency of the parent scaffoldswith MIC values as low as 0.0163 μmol/mL and 0.0161 μmol/mL. Particularly, compounds 8a, 8d and8f demonstrated pronounced bioactivity across multiple strains. For more insight into their mode of action, molecular docking analyses and druglikeness-related parameters were observed, revealing strong interactions with microbial enzyme active sites, thereby validating their therapeutic potential. This work highlights the potential of imidazole- pyrazole-triazole hybrids as promising scaffolds for the development of biologically active molecules. Theintegration of synthesis, biological evaluation, and molecular docking study provides useful insights for future drugdiscovery and rational design in medicinal chemistry.
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