Synthesis, Antimicrobial Activity, and Molecular Docking Studies of New Quinoxaline‐Heterocycle Hybrids

Abstract

ABSTRACT Bacterial infections continue to pose a major global health threat, especially as antimicrobial resistance keeps rising. In this work, we synthesized a series of novel bis‐heterocyclic hybrids built around a quinoxaline core. These compounds came together in good yields and were thoroughly characterized using various spectroscopic methods. We tested their antimicrobial activity against a range of bacterial and fungal strains, and overall, they showed moderate inhibition. Compound 11 stood out as the top performer, knocking down Staphylococcus aureus at an MIC of 1.875 mg/mL, though it was less effective against the others (up to 7.5 mg/mL). To make sense of these results, we ran molecular docking studies, which revealed that compound 11 binds well to key bacterial enzymes involved in virulence and cell‐wall integrity, like glucose oxidase, flavohemoprotein, and autolysin. Even though the activity is still modest, this quinoxaline‐based bis‐heterocycle scaffold looks like a solid foundation for tweaking and boosting potency in future rounds of optimization.