Academic Journal
Molecular networking-guided discovery of anti-inflammatory diterpenoids from the roots of Euphorbia prolifera.
| Title: | Molecular networking-guided discovery of anti-inflammatory diterpenoids from the roots of Euphorbia prolifera. |
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| Authors: | Wang X; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China., Xu Y; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China., Wang Y; Institute of Structural Pharmacology & TCM Chemical Biology, College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, 350122, China., Ren L; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China., Zhang Z; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China., Sun D; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China. Electronic address: sywysdj@163.com., Chen L; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China. Electronic address: syzyclx@163.com., Li H; Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China; Institute of Structural Pharmacology & TCM Chemical Biology, College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, 350122, China. Electronic address: lihua@fjtcm.edu.cn. |
| Source: | Phytochemistry [Phytochemistry] 2026 Jul; Vol. 247, pp. 114842. Date of Electronic Publication: 2026 Feb 24. |
| Publication Type: | Journal Article |
| Language: | English |
| Journal Info: | Publisher: Elsevier Country of Publication: England NLM ID: 0151434 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3700 (Electronic) Linking ISSN: 00319422 NLM ISO Abbreviation: Phytochemistry Subsets: MEDLINE |
| Imprint Name(s): | Publication: 2003- : London : Elsevier Original Publication: 1961-2003: Oxford : Pergamon Press. |
| MeSH Terms: | Euphorbia*/chemistry , Diterpenes*/chemistry , Diterpenes*/pharmacology , Diterpenes*/isolation & purification , Plant Roots*/chemistry , Anti-Inflammatory Agents*/chemistry , Anti-Inflammatory Agents*/pharmacology , Anti-Inflammatory Agents*/isolation & purification , Drug Discovery*, Nitric Oxide/biosynthesis ; Nitric Oxide/antagonists & inhibitors ; Lipopolysaccharides/pharmacology ; Lipopolysaccharides/antagonists & inhibitors ; Macrophages/drug effects ; Mice ; Animals ; Molecular Structure ; RAW 264.7 Cells ; Crystallography, X-Ray ; Structure-Activity Relationship |
| Abstract: | Molecular-network-guided mining of a diterpenoid extract from Euphorbia prolifera Buch.-Ham. ex D.Don roots highlighted a cluster assigned to myrsinane-type diterpenoids. This directed the isolation of six undescribed myrsinanes, one tigliane-type diterpene and 27 known diterpenoids. Structures were established by 1D/2D NMR, HR-ESI-MS, ECD calculations, and X-ray crystallography. Notably, (2S,3S,4R,5R,6R,7R,9S,11S,12R,13S,14S,15R)-3β-O-propionyl-5α-O-benzoyl-7β-O-acetyl-17,14-oxo-premyrsinol (1) is the first myrsinane-type diterpene with 14/17-oxygen bridge. All compounds exhibited their inhibitory effects on LPS-induced nitric oxide production in RAW 264.7 macrophages. Compounds 18, 19, and 31 showed significant inhibitory effects, and the IC (Copyright © 2026 Elsevier Ltd. All rights reserved.) |
| Competing Interests: | Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. |
| Contributed Indexing: | Keywords: Anti-inflammation; Diterpenoids; Euphorbia prolifera; Euphorbiaceae; Molecular networking |
| Substance Nomenclature: | 0 (Diterpenes) 31C4KY9ESH (Nitric Oxide) 0 (Lipopolysaccharides) 0 (Anti-Inflammatory Agents) |
| Entry Date(s): | Date Created: 20260226 Date Completed: 20260709 Latest Revision: 20260709 |
| Update Code: | 20260711 |
| DOI: | 10.1016/j.phytochem.2026.114842 |
| PMID: | 41747846 |
| Database: | MEDLINE |
| ISSN: | 1873-3700 |
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| DOI: | 10.1016/j.phytochem.2026.114842 |