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

Abstract

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. 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.