- Title
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Curcumae Rhizoma - combined with Sparganii Rhizoma in the treatment of liver cancer: Chemical analysis using UPLC-LTQ-Orbitrap MSn, network analysis, and experimental assessment
- Authors
- Wei, J., Wang, X., Dong, Y., Zhong, X., Ren, X., Song, R., Ma, J., Yu, A., Fan, Q., Yao, J., Shan, D., Lv, F., Zheng, Y., Deng, Q., Li, X., He, Y., Fan, S., Zhao, C., Wang, X., Yuan, R., She, G.
- Source
- Full text @ Front Pharmacol
Flow chart of the study process. |
MS/MS molecular networking of the CR-SR decoction in the positive mode. The novel compound is in red, and its name and structure are depicted in the left column. The known compound is in yellow, and the name is depicted in the right column. |
MS/MS molecular networking of the SR decoction in the positive mode. The novel compound is in red, and its name and structure are depicted in the left column. The known compound is in yellow, and the name is depicted in the right column. |
TIC chromatograms in the positive mode; (A) CR-SR extract, (B) CR extract, and (C) SR extract. |
TIC chromatograms in the negative mode; (A) CR-SR extract, (B) CR extract, and (C) SR extract. |
The structures of sesquiterpenoids and cyclic dipeptides identified in CR-SR, CR, and SR extracts. |
Network pharmacology of CR-SR in liver cancer treatment. (A) Venn diagram of active compound targets of CR-SR, CR, SR with liver cancer targets. (B) Active compound-target network of the overlapping targets between CR-SR and liver cancer (targets as orange diamond nodes; diarylheptanoids as blue circle nodes; phenols and organic acids as green circle nodes; sesquiterpenoids as purple circle nodes; cyclic dipeptides as yellow circle nodes. (C) The PPI network of the screening targets. (D) Go enrichment analysis (top 10). (E) Bubble diagram of enrichment analysis of KEGG pathway (top 20). |
Active compound-key target-pathway network of CR-SR for liver cancer, where green nodes resented active compounds, blue nodes denoted key targets, and orange nodes indicated enriched pathway. |
Molecular docking. (A) Binding modes of 3,5-diacetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-heptane in the SRC-binding pocket. (B) Binding modes of 3,5-diacetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-heptane in the EGFR-binding pocket. (C) Binding modes of 3,5-diacetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-heptane in the ESR1-binding pocket. (D) Binding modes of 1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one in the PTGS2-binding pocket. |
Inhibitory effects on the proliferation rate of HepG2 cells. **p < 0.01 compared with the model group. (A) Chart of CR-SR, (B) chart of CR, (C) chart of SR, and (D) line chart of CR-SR, CR, and SR. |
Activity of anti-liver cancer in the zebrafish HepG2 xenograft model. (A) Dose–toxicity curves in 3–6 dpf zebrafish. (B) Effects of CR-SR, CR, and SR on the tumor area in zebrafish (×40). (C) Inhibition rates of the CR-SR, CR, and SR groups. **p < 0.01 compared with the model group. |
Expression of SRC, EGFR, ESR1, PTGS2, and APP in zebrafish larvae was detected by RT-qPCR |