In recent years, increasing attention has been paid to natural compounds as potential agents due to their broad spectrum of biological activities. Plant-derived antioxidants with anti-inflammatory properties are of particular interest, as they may suppress pathological pathways. Therefore, the search for novel natural compounds capable of attenuating inflammation remains a promising area of biomedical research.

The aim of work was to evaluate the anti-inflammatory activity of a blackberry thick fruit extract using an in vivo model and molecular docking.

Materials and methods. The object of study was a blackberry thick fruit extract. Molecular docking was performed using AutoDockTools 1.5.6. Anti-inflammatory effect was assessed by the model of carrageenan-induced paw edema in rats.

Results. Theoretical assessment of the anti-inflammatory activity of the blackberry fruit extract showed that blackberry anthocyanins as cyanidin-3-glucoside, cyanidin-3-(3”-malonyl glycoside) and cyanidin-3-xyloside blocked highly selective three out four pro-inflammatory targets as cyclooxygenase-2 (COX-2), phospholipase A2 and 5-lipooxygenes (5-LOX), whereas, сyanidin-3,3’-diglucoside and cyanidin-3-rutinoside highly selective blocked two out of four targets as phospholipase A2 and 5-LOX. There was not found any high selective inhibitor among anthocyanins of nuclear factor kB (NF-kB), whereas cyanidin-3-xyloside showed a moderate selectivity. Experimental studies have shown the blackberry fruit thick extract at a dose of 60.0 mg/kg and 30.0 mg/kg significantly reduces edema after 1, 2, 3 and 4 hours compared to the control group.

Conclusions. Theoretical and experimental research of anti-inflammatory properties of blackberry fruit extract using molecular docking analysis and in vivo model of carrageenan-induced paw edema in rats, respectively, has been conducted. Theoretical results have shown blackberry anthocyanins possessed ability to inhibit all crucial pro-inflammatory targets as COX-2, phospholipase A2, 5-LOX and Nf-kB. Experimental results have demonstrated that blackberry thick fruit extract at doses of 60.0 mg/kg and 30.0 mg/kg possessed the ability to significantly inhibit inflammation at all stages of the carrageenan-induced paw edema model.