DeepSAT-Driven Discovery of Pimarane Diterpenoids from <i>Arthrinium arundinis</i> with Ulcerative Colitis Inhibitory Activity via NF-κB/MAPK Pathways
Utilizing HSQC-based DeepSAT analysis, nine undescribed pimarane diterpenoids were isolated from <i>Arthrinium arundinis</i>. Structurally, compounds <b>1</b> and <b>2</b> represent the first pimarane diterpenoids characterized by an aromatic A-ring system and a 1,6-dioxaspiro[4.4]nonan-4-one core. Compound <b>3</b> represents the first pimarane-kojate conjugate. Their structures were elucidated by comprehensive spectroscopic analysis, single-crystal X-ray diffraction (XRD) analyses, Mo<sub>2</sub>(OAc)<sub>4</sub>-induced circular dichroism (ICD), and electronic circular dichroism (ECD) calculations. Compound <b>9</b> alleviates dextran sodium sulfate (DSS)-induced ulcerative colitis (UC) in mice by inhibiting NF-κB/MAPK pathways.
Authors
- Yu Chen
- Xinye Huang
- Feiyi Wang (ORCID: https://orcid.org/0000-0003-2936-5276)
- Yonghui Zhang (ORCID: https://orcid.org/0000-0002-7222-2142)
- Wenyi Zhang (ORCID: https://orcid.org/0000-0003-4227-0749)
- Qin Li (ORCID: https://orcid.org/0000-0002-3527-7531)
- Chunmei Chen (ORCID: https://orcid.org/0000-0003-2087-7769)
- Yingjie Liu (ORCID: https://orcid.org/0000-0003-1875-2780)
- Mengsha Wei
- Aisi Fu (ORCID: https://orcid.org/0000-0002-3539-8093)
- Hucheng Zhu (ORCID: https://orcid.org/0000-0002-6672-0014)
- Weiguang Sun
Institutions
- Southwest Medical University (CN)
- Wuhan University (CN)
- Renmin Hospital of Wuhan University (CN)
- Huazhong University of Science and Technology (CN)
Publication Details
- Journal
- Organic Letters
- Published
- 2025-10-14
- DOI
- https://doi.org/10.1021/acs.orglett.5c03611
- Citations
- 1
- Primary Topic
- Bioactive Natural Diterpenoids Research
- Type
- article
- Field-Weighted Citation Impact
- 0.81