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Title: Lathyrane and ent-isopimarane diterpenoids from Euphorbia wallichii and target prediction of active ingredient. Author: Wang Y, Wu Z, Wu H, Zhang Z, Leng Y, Sun D, Xu W, Li H, Chen L. Journal: Phytochemistry; 2024 Dec; 228():114256. PubMed ID: 39181525. Abstract: Fourteen undescribed diterpenoids, including eleven lathyrane diterpenoids wallathyanes A-K (1-11) and three ent-isopimarane diterpenoids wallisopiranes A-C (12-14), together with fourteen known analogues 15-28, were obtained from the whole plant of Euphorbia wallichii. Their chemical structures were elucidated by spectroscopic data analysis, experimental electronic circular dichroism measurements, and X-ray crystallography. Bioactivity screening indicated that compound 2 exhibited an inhibitory effect on NO generation in LPS-stimulated RAW264.7 macrophage cells with an IC50 value of 4.76 ± 1.08 μM. The network pharmacology and molecular docking studies also revealed that compound 2 can bind with the potential targets GRB, AKT1, MAPK1, MAPK14, HSP90AA1, PIK3R1, PIK3CB, PRKACA, SRC, CASP3, RXRA, PTPNA11, ZAP70, and PRKC of inflammation.[Abstract] [Full Text] [Related] [New Search]