Novel Antibacterial 4-Piperazinylquinoline Hybrid Derivatives Against <i>Staphylococcus aureus</i>: Design, Synthesis, and In Vitro and In Silico Insights.

ABSTRACT: Molecular hybridization, which consists of the combination of two or more pharmacophores into a single molecule, is an innovative approach in drug design to afford new chemical entities with enhanced biological activity. In the present study, this strategy was pursued to develop a new series of 6,7-dimethoxy-4-piperazinylquinoline-3-carbonitrile derivatives (5a-k) with potential antibiotic activity by combining the quinoline, the piperazinyl, and the benzoylamino moieties, three recurrent frameworks in antimicrobial research. Initial in silico evaluations were conducted on the designed compounds, highlighting favorable ADMET and drug-likeness properties, which were synthesized through a multistep strategy, isolated, and fully characterized. The whole set was tested in vitro a

SUBMITTER: La Monica G 

PROVIDER: S-EPMC11720749 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature