Synthesis, spectroscopic characterization, and DFT-assisted molecular docking analysis of novel 1,3,4-oxadiazole–1,2,3-triazole hybrids with antimicrobial and cytotoxicity potential

Abstract

), surpassing those of ciprofloxacin and griseofulvin. The combined computational and experimental findings highlight the significance of nitrogen- and oxygen-rich heteroaromatic functionalities, which enhance electronic distribution, molecular stability, and target recognition. Overall, compounds 10i, 11b, and 11c emerged as promising lead candidates with cytotoxicity and antimicrobial activities, with 10i demonstrating particularly remarkable broad-spectrum cytotoxicity efficacy, providing a rational framework for the design and development of next-generation multifunctional therapeutic agents.

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