Sesquiterpenoids and Polyacetylenes From Notopterygium Incisum With Anti–Rheumatoid Arthritis Activity

作者：Fan Wu, Wen‐Jian Gu, Lu Chen, Bing Xia, Yu Wang, Lijun Huang, Ke Wang, Yu‐Cheng Gu, Yan Zhou · 发表于：Phytochemical Analysis · 年份：2025 · DOI：10.1002/pca.70037 · 被引用次数：5 · 研究领域：Plant chemical constituents analysis、Sesquiterpenes and Asteraceae Studies、Natural Compounds in Disease Treatment

INTRODUCTION: Notopterygium incisum is a traditional Chinese and Tibetan medicinal herb widely used for treating colds, rheumatism, and musculoskeletal disorders. OBJECTIVES: The aims of the study were to isolate sesquiterpenoids and polyacetylenes from N. incisum rhizomes and to evaluate their potential anti-rheumatoid arthritis activity. METHODS: Compounds were isolated using chromatographic techniques. Structures were elucidated by 1D/2D NMR, UV, IR, and HRESIMS, and absolute configurations were assigned using TD-DFT ECD calculations. Their anti-RA activity was assessed by measuring pro-inflammatory cytokine inhibition in TNF-α-induced MH7A cells. Some compounds were evaluated by molecular docking and molecular dynamics simulations to further explore possible molecular targets related to RA. RESULTS: Twenty-one compounds, including seven new ones and one newly identified natural product, were obtained. Several compounds showed significant inhibition of pro-inflammatory cytokines in TNF-α-induced MH7A cells. Molecular docking also revealed varying degrees of binding affinity to RA-relevant proteins, and dynamics simulations confirmed the stability of most selected complexes. CONCLUSIONS: A series of sesquiterpenoids and polyacetylenes was isolated. Several compounds exhibited notable anti-inflammatory activity, suggesting that these structural types may underlie the anti-RA effects of N. incisum.