Metabolite profiling of traditional Chinese medicine XIAOPI formula: An integrated strategy based on UPLC-Q-Orbitrap MS combined with network pharmacology analysis.
Metabolite profiling of traditional Chinese medicine XIAOPI formula: An integrated strategy based on UPLC-Q-Orbitrap MS combined with network pharmacology analysis.
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中药消痞方代谢谱分析：基于UPLC-Q-Orbitrap MS结合网络药理学分析的综合策略
DOI：
10.1016/j.biopha.2019.109569
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发表时间：
2019-11
影响因子：
7.5
通讯作者：
Wang Zhiyu
中科院分区：
文献类型：
--
作者：
Wang Neng;Yang Bowen;Zhang Juping;Zheng Yifeng;Wang Shengqi;Zhang Xiaotong;Situ Honglin;Lin Yi;Wang Zhiyu
消痞方已被国家药品监督管理局批准用于治疗乳腺增生。然而，消痞方的吸收物质及其对代谢途径的影响尚不清楚。采用液相色谱-质谱联用技术对血清中的物质进行鉴定。利用网络药理学来探索参与的潜在代谢靶点和途径。进行Western印迹和免疫荧光测定以进行靶标验证。外源性筛选结果表明，196种化合物被筛选为吸收物质，其中63种化合物或代谢产物在大鼠血清中被初步鉴定，丹参酮II和丹参酮I的代谢产物是主要的代谢途径。内源性结果显示，消痞方对血清生化指标具有显著的调节作用，其中胆汁酸分泌信号通路的调节作用最强。结果表明，消痞方能显著上调胆汁酸代谢中间产物胆酸、甘氨胆酸、牛磺鹅去氧胆酸和牛磺胆酸的水平，并促进关键酶CYP 7A 1的表达，提示消痞方能加速胆汁酸代谢途径。本研究首次全面揭示了消痞方的体内代谢特征，胆汁酸合成途径可能是消痞方发挥药理作用的重要机制之一。
XIAOPI formula has been approved for mammary hyperplasia treatment by National Medical Products Administration in China. However, the absorbed substances of XIAOPI formula and their influences on metabolic pathways are largely remained unknown. Liquid chromatography coupled with mass spectrometry was used to identify the substances existing in the serum. Network pharmacology was utilized to explore the underlying metabolic targets and pathways involved in. Western blotting and immunofluorescence assays were carried out for target validation. The exogenous results demonstrated 196 compounds were filtered as absorbed substances, among which 63 constituents or metabolites were tentatively identified in rat serum, and the metabolites of tanshinone II and tanshinone I were found to act as the major metabolic pathways. Subsequently, the endogenous results revealed that XIAOPI formula could significantly regulate serum biochemical indices and the bile acid secretion signaling ranks as top1 among all the involved pathways. The levels of intermediates including cholic acid, glycocholic acid, taurochenodeoxycholic acid and taurocholic acid were significantly upregulated following XIAOPI treatment, accompanied by increased expression of key enzyme CYP7A1, indicating that XIAOPI formula could accelerate the bile acid metabolism pathway. Our study presented a comprehensive metabolic profile of XIAOPI formulain vivofor the first time, and bile acid synthesis pathway might be one of the key mechanisms contributing to the pharmacological function of the formula.
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