DeepSAT-Driven Discovery of Pimarane Diterpenoids from Arthrinium arundinis with Ulcerative Colitis Inhibitory Activity via NF-κB/MAPK Pathways

作者：Yu Chen, Qin Li, Yingjie Liu, Xinye Huang, Aisi Fu, Wenyi Zhang, Feiyi Wang, Mengsha Wei, Weiguang Sun, Chunmei Chen, Yonghui Zhang, Hucheng Zhu · 发表于：Organic Letters · 年份：2025 · DOI：10.1021/acs.orglett.5c03611 · 被引用次数：6 · 研究领域：Bioactive Natural Diterpenoids Research、Plant-based Medicinal Research、Traditional Chinese Medicine Analysis

Utilizing HSQC-based DeepSAT analysis, nine undescribed pimarane diterpenoids were isolated from Arthrinium arundinis . Structurally, compounds 1 and 2 represent the first pimarane diterpenoids characterized by an aromatic A-ring system and a 1,6-dioxaspiro[4.4]nonan-4-one core. Compound 3 represents the first pimarane–kojate conjugate. Their structures were elucidated by comprehensive spectroscopic analysis, single-crystal X-ray diffraction (XRD) analyses, Mo 2 (OAc) 4 -induced circular dichroism (ICD), and electronic circular dichroism (ECD) calculations. Compound 9 alleviates dextran sodium sulfate (DSS)-induced ulcerative colitis (UC) in mice by inhibiting NF-κB/MAPK pathways.