Evidence for the anti‐inflammatory activity of Bupleurum marginatum (Apiaceae) extracts using in vitro and in vivo experiments supported by virtual screening.

Abstract: Objectives: To explore the potential anti‐inflammatory activity of Bupleurum marginatum extracts using in vitro and in vivo studies supported by virtual screening. Methods: Antioxidant activity was assessed using the DPPH˙ and inhibition of 2‐deoxyribose degradation assays. Anti‐inflammatory activity was determined in vitro by measuring the suppression of prostaglandin E2 release (PGE2) in pancreatic cancer cells (MIA‐PaCa‐2) and the inhibition of 5‐lipoxygenase whereas the rat paw oedema was used in vivo. The major constituents were docked in 5‐lipoxygenase and cyclooxygenase‐II active sites. Key findings: Methanol and dichloromethane (DCM) extracts showed IC50 of 46.99 and 162.99 μg/ml in the DPPH˙, 1.52 and 2.12 μg/ml in inhibition of 2‐deoxyribose degradation assays, respectively. They reduced PGE2 release by 41.33 and 52.85% at 25 μg/ml and inhibited 5‐lipoxygenase with IC50 of 45.28 and 25.92 μg/ml, respectively. 50 and 70% reduction in the diameter of the carrageenan‐induced rat paws with methanol and DCM extracts, respectively, with a marked decline in the inflammation score was observed. Rutin, a predominating compound, showed a strong interaction with the key amino acids in 5‐LOX active site with interaction energy of −74.59 kcal/mol. Conclusions: Our study provides evidence for an interesting anti‐inflammatory activity of B. marginatum aerial parts offering a natural anti‐inflammatory agent. [ABSTRACT FROM AUTHOR]