Huang Qingbao, Xian Leyao, Song Xiansheng, Zou Dawei, Chen Junqi, Chen Yue, Li Wanquan, Zhang Shangbin, Liang Huichao
Shenzhen Key Laboratory of Hospital Chinese Medicine Preparation, Shenzhen Traditional Chinese Medicine Hospital, The Fourth Clinical Medical College of Guangzhou University of Chinese Medicine, Shenzhen, China.
Chinese Medicine Guangdong Laboratory, The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.
Front Chem. 2025 Aug 20;13:1563598. doi: 10.3389/fchem.2025.1563598. eCollection 2025.
Chronic renal failure (CRF) is a serious state of continuous development in various chronic renal diseases. Shenshuaifu granule is a hospital preparation of Chinese medicines used at Shenzhen Traditional Chinese Medicine Hospital. It has been reported to delay the progression of renal failure in clinical application, but its material basis and mechanism are still unclear.
In this study, ultra-high-performance liquid chromatography tandem with Q-Exactive-Orbitrap mass spectrometry (UHPLC-QE-MS), network pharmacology, and molecular docking technology were used to rapidly explore the plant metabolites of Shenshuaifu granule and its potential mechanisms.
The results showed that a total of 56 plant metabolites were identified from Shenshuaifu granule, including nine prototype metabolites detected in rat plasma after administration. Through network pharmacology and molecular docking technology, the plant metabolites that enter the blood from Shenshuaifu granule may regulate key targets, such as TNF, SRC, STAT3, EGFR, BCL2, JUN, and PTGS2. The GO and KEGG enrichment analysis showed that the AGE-RAGE signaling pathway, HIF-1 signaling pathway, and TNF signaling pathway were the main mechanisms of Shenshuaifu granule in the treatment of CRF.
Flavonoids and quinones in Shenshuaifu granule are potential active plant metabolites, suggesting anti-inflammatory, anti-glomerulosclerosis, and fibrosis effects on CRF.
慢性肾衰竭(CRF)是各种慢性肾脏疾病持续发展的严重状态。肾衰复颗粒是深圳市中医院使用的院内中药制剂。临床应用报道其可延缓肾衰竭进展,但其物质基础和作用机制仍不清楚。
本研究采用超高效液相色谱串联Q-Exactive-Orbitrap质谱(UHPLC-QE-MS)、网络药理学和分子对接技术,快速探索肾衰复颗粒的植物代谢产物及其潜在机制。
结果表明,从肾衰复颗粒中总共鉴定出56种植物代谢产物,包括给药后在大鼠血浆中检测到的9种原型代谢产物。通过网络药理学和分子对接技术,肾衰复颗粒进入血液的植物代谢产物可能调节关键靶点,如TNF、SRC、STAT3、EGFR、BCL2、JUN和PTGS2。GO和KEGG富集分析表明,AGE-RAGE信号通路、HIF-1信号通路和TNF信号通路是肾衰复颗粒治疗CRF的主要机制。
肾衰复颗粒中的黄酮类和醌类是潜在的活性植物代谢产物,提示其对CRF具有抗炎、抗肾小球硬化和抗纤维化作用。