Department of Pharmacy, The Third Affiliated Hospital of Chongqing Medical University, Chongqing 401120, China.
Aging (Albany NY). 2024 May 13;16(9):7979-7999. doi: 10.18632/aging.205798.
Xiaochaihu (XCH) decoction is a traditional Chinese prescription that has been recorded in the pharmacopeia of the People's Republic of China. In China, the XCH decoction is used clinically to treat a variety of tumors, including breast cancer. However, its potential mechanism of action is still undefined.
The chemical compounds in the XCH decoction were identified via Q Exactive Orbitrap LC-MS/MS. Then, we screened the active ingredients and targets in the XCH decoction from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Next, Cytoscape and Metascape were used to construct an active ingredient-target-disease network, which included a protein-protein interaction (PPI) network, GO enrichment analysis, and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis. Finally, we used molecular docking and experiments to verify the results of network pharmacology analysis.
More than 70 major compounds were identified by Q Exactive Orbitrap LC-MS/MS analysis from the XCH decoction. A total of 162 active ingredients and 153 targets related to the XCH decoction and breast cancer were identified, and a compound-target-disease network was constructed. GO and KEGG analyses revealed that the XCH decoction regulated the drug response, apoptosis process, cancer pathway, and PI3K/Akt signaling pathway. Molecular docking and experimental validation indicated that the XCH decoction suppressed proliferation and induced apoptosis in breast cancer cells by regulating the expression of apoptosis-related proteins and inhibiting the PI3K/Akt pathway.
This study suggested that the XCH decoction can be used to treat breast cancer by inhibiting cell proliferation, inducing apoptosis and downregulating the PI3K/Akt signaling pathway.
小柴胡汤是一种传统的中药方剂，已被收录在中国药典中。在中国，小柴胡汤被用于临床治疗多种肿瘤，包括乳腺癌。然而，其潜在的作用机制尚未明确。
采用 Q Exactive Orbitrap LC-MS/MS 鉴定小柴胡汤中的化学化合物。然后，我们从中药系统药理学数据库和分析平台（TCMSP）筛选小柴胡汤中的活性成分和靶点。接下来，使用 Cytoscape 和 Metascape 构建活性成分-靶点-疾病网络，包括蛋白质-蛋白质相互作用（PPI）网络、GO 富集分析和京都基因与基因组百科全书（KEGG）通路分析。最后，我们使用分子对接和实验验证网络药理学分析的结果。
通过 Q Exactive Orbitrap LC-MS/MS 分析从小柴胡汤中鉴定出 70 多种主要化合物。共鉴定出 162 种与小柴胡汤和乳腺癌相关的活性成分和 153 个靶点，并构建了一个化合物-靶点-疾病网络。GO 和 KEGG 分析表明，小柴胡汤通过调节药物反应、凋亡过程、癌症途径和 PI3K/Akt 信号通路来调节乳腺癌。分子对接和实验验证表明，小柴胡汤通过调节凋亡相关蛋白的表达和抑制 PI3K/Akt 通路来抑制乳腺癌细胞的增殖并诱导其凋亡。
本研究表明，小柴胡汤可以通过抑制细胞增殖、诱导凋亡和下调 PI3K/Akt 信号通路来治疗乳腺癌。
