Anti-inflammatory and antioxidant activity of Rubus idaeus shoot extract: An in silico molecular docking study

Oxidative stress and inflammation are key contributors to cardiovascular, oncological, and neurodegenerative diseases, making natural compounds with dual antioxidant and anti-inflammatory effects of particular interest. This study investigated raspberry (Rubus idaeus) shoot extract by identifying its main biologically active substances (BAS) and evaluating its activity through in silico, in vitro, and in vivo approaches, as well as exploring the relationship between its antioxidant and anti-inflammatory potential. High-performance liquid chromatography (HPLC) revealed eleven compounds, dominated by epicatechin, (+)-catechin, and ellagic acid derivatives. Molecular docking demonstrated a strong affinity of catechins for the active sites of cyclooxygenase-2 (COX-2) and NADPH oxidase, indicating their role in modulating both oxidative and inflammatory pathways. The extract exhibited clear dose-dependent antioxidant activity, while in vivo testing using a carrageenan-induced edema model confirmed a significant reduction in inflammation. Importantly, correlation analysis showed a very high positive association between antioxidant and anti-inflammatory activities, suggesting that the latter is largely mediated through the extract’s redox-modulating capacity. The consistency between theoretical predictions and experimental outcomes strengthens the evidence for the extract’s biological efficacy. Taken together, these findings highlight raspberry shoot extract as a valuable source of polyphenolic compounds, particularly catechins, with significant antioxidant and anti-inflammatory activity, supporting its potential as a natural therapeutic candidate for conditions associated with oxidative stress and inflammation.