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Sesquiterpenoids and Polyacetylenes From Notopterygium Incisum With Anti-Rheumatoid Arthritis Activity
Fan Wu1,2,3, Wen-Jian Gu2,3, Lu Chen2,3
1Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu, People's Republic of China.
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.
