Evaluation of Anti-Inflammatory, Antioxidant Activities and Molecular Docking Analysis of Rubus idaeus Leaf Extract

Abstract

The study aimed to identify the most abundant compounds in raspberry leaf extract via HPLC analysis, conduct theoretical and practical assessments of antioxidant and anti-inflammatory activities both in silico, in vitro, and in vivo, and evaluate the correlation between antioxidant and anti-inflammatory activities. Polyphenols were quantified using HPLC; molecular docking was carried out using AutoDockTools 1.5.6; antioxidant activity was ascertained via the potentiometric method; and anti-inflammatory activity was examined based on the carrageenan edema method. The extract was found to be rich in epicatechin (0.417%), (+)-catechin (0.501%), and ellagitannins (0.401%). The free energy of (+)-catechin and epicatechin was -8.40 and -7.20 respectively for the active sites of cyclooxygenase-2 (COX-2), and -6.60 and -7.11 for nicotinamide adenine dinucleotide phosphate oxidase (NADPH oxidase). Notably, the antioxidant activity of the raspberry leaf extract was 1.43%, 1.04%, and 10.62% higher than that of green tea leaf extract for doses of 4.00, 2.00, 0.20 mg/mL, respectively. Treatment with the raspberry leaf extract at a dose of 13.0 mg/kg resulted in a significant decrease in edema after 1, 2, and 3 hours by 38.8%, 41.8%, and 48.8%, respectively, compared to the control group. The study demonstrated a correspondence between experimental and theoretical results in evaluating antioxidant and anti-inflammatory activities. Correlation analysis further substantiated that the anti-inflammatory action is dependent on antioxidant activity.