Enhanced antioxidant and anti-inflammatory activities of BerbiQ compared with berberine and silymarin: integrated in vitro and in silico investigations.

Berberine is a bioactive isoquinoline alkaloid with reported antioxidant and anti-inflammatory properties, however, its therapeutic application is limited by poor solubility and bioavailability. BerbiQ is a novel OMICS technology based berberine formulation developed through complexation with silymarin and coconut derived lipid protein matrices to enhance the solubility, stability, bioavailability and biological efficacy of berberine. This study comparatively evaluated the biological activities of berberine, silymarin and its formulation BerbiQ using integrated in vitro and in silico approaches. Antioxidant activity was assessed with 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay, while anti-inflammatory activity was evaluated in RAW 264.7 macrophages through nitric oxide, lipoxygenase and cyclooxygenase inhibitory assays. In silico molecular docking and molecular dynamics simulations were performed to investigate the interactions of berberine and silymarin with Kelch-like ECH-associated protein 1 (keap1) and inducible nitric oxide synthase (iNOS), key targets associated with oxidative stress and inflammatory signaling pathways. Antioxidant evaluation revealed that BerbiQ exhibited enhanced radical scavenging activity compared with berberine and silymarin. All test samples demonstrated concentration-dependent anti-inflammatory activity in RAW 264.7 macrophages, with BerbiQ exhibiting comparatively higher inhibitory activity against anti-inflammatory pathways. Computational analyses further demonstrated favourable binding affinities and stable interaction profiles of berberine and silymarin with keap1 and iNOS, supporting their potential modulatory effects on oxidative stress and inflammatory responses. Collectively, the findings demonstrate that BerbiQ preserves the intrinsic pharmacological properties of berberine by combining with silymarin while enhancing its antioxidant and anti-inflammatory efficacy. The study highlights the importance of advanced formulation strategies in improving the biological and therapeutic potential of natural bioactive compounds.