Facile Synthesis and Characterization of Copper Hybrid Nanoflowers Using β-hydroxyamide–based Compounds: Investigation of their Anticancer Activity and Molecular Docking Analysis

Abstract Flower-like structures known as organic–inorganic hybrid nanoflowers (hNFs) are nanostructures that can be produced by combining organic and inorganic components. In this study, β -hydroxyamide–based compounds were used to synthesize copper hybrid nanoflowers (CuhNFs), and their in vitro cytotoxic activities were evaluated. The synthesized CuhNFs were characterized using SEM, EDX, elemental mapping, FT-IR, and XRD analyses to determine their morphological and structural properties. Cytotoxic effects were assessed on A549 lung cancer cells using the MTT assay. Among the tested samples, NM3-CuhNFs and NM5-CuhNFs exhibited the highest cytotoxicity at 125 μg/mL, with 24% and 32.5% inhibition, respectively. Overall, copper hybrid nanoflowers demonstrated greater cytotoxic activity than the parent β -hydroxyamide compounds. Cell viability decreased in a concentration-dependent manner. Based on these findings, NM3 and NM5 were further analyzed through molecular docking studies against EGFR, caspase-8, and PI3Kα. Both compounds showed favorable interactions with the selected targets, and their binding modes were elucidated in silico. These results indicate that β -hydroxyamide–derived copper hybrid nanoflowers may serve as promising candidates for the development of novel therapeutic strategies against lung cancer. This study represents the first report on the fabrication and biological evaluation of hybrid nanoflowers derived from β -hydroxyamide-based compounds. Future more comprehensive in vitro and in vivo studies are required to confirm the therapeutic efficacy and safety profile.