Chemical Constituents from Osmanthus fragrans var. aurantiacus Makino with Their In Vitro and In Silico Studies Target Anti-Inflammation by Suppressing ERK 1/2 MAPK Signaling

<i>Osmanthus fragrans</i> var. <i>aurantiacus</i> Makino is a traditional medicine for treating various diseases, including inflammation. In this study, we discovered the biological features of this plant by assessing antioxidative and anti-inflammatory activities. The GNPS-FBMN approach and in vitro assays guided the identification of active ingredients. As a result, one new compound and 17 other compounds were separated and identified. The structure of the new compound was established by CD spectrum and hydrolysis, followed by HPLC analysis. These compounds demonstrated antioxidative and anti-inflammatory activities. Western blotting clarified the active compound by inhibiting inflammation through COX-2 and iNOS enzymes and blocking the ERK 1/2 MAPK signaling. In silico approaches supported the binding affinity and dynamic features of the established complexes' target inflammation. Our finding supports evidence from both experimental and in silico approaches that <i>O. fragrans</i> fractions and its constituents may be employed as potential therapeutic phytochemicals for treating inflammatory bowel diseases.