Xu Jing, Zhu Yulong, Wei Yi, Gan Peirong, Xia Shilin, Li Ya, Jiang Xiaoman, Wang Yan, Wu Hong
College of Pharmacy, Anhui University of Chinese Medicine, Hefei, China.
Key Laboratory of Xin'an Medicine, Ministry of Education, Hefei, China.
Phytochem Anal. 2025 Jun;36(4):1252-1267. doi: 10.1002/pca.3508. Epub 2025 Jan 14.
Rheumatoid arthritis (RA) is a chronic autoimmune disease that primarily manifests with symptoms such as heat and toxin. However, the key components and molecular mechanisms of Zhizi Baipi decoction (ZBD) in the treatment of RA are still unclear.
The study aimed to explore the mechanism of action of ZBD for treating RA through ingredient analysis, network pharmacology, and experimental validation.
The chemical constituents of ZBD were identified by ultra-high performance liquid chromatography coupled with Q-TOF-mass spectrometry (UPLC-Q-TOF-MS). Additionally, the active ingredients of ZBD treating RA were screened by network pharmacology and using molecular docking to verify the binding energy of the active ingredients and ZBD's targets. Then we elucidated ZBD's mechanism of action on collagen-induced arthritis (CIA) model rats. Subsequently, experimental validations were used to validate the findings of network pharmacology.
A total of 84 chemical constituents was identified by UPLC-Q-TOF-MS. The results of network pharmacology indicated that ZBD could exert its therapeutic effect on RA through the vascular endothelial growth factor (VEGF) pathway. Molecular docking revealed a strong binding capacity between the target KDR and the active ingredients. Additionally, we quantified the five active ingredients of ZBD. In vivo experiments demonstrated that ZBD inhibited synovial angiogenesis and alleviated the occurrence and progression of RA.
Overall, ZBD has a significant therapeutic effect on RA. The results of qualitative analysis, network pharmacology, molecular docking, and in vivo experiments indicated that the main active components of ZBD could modulate the VEGF pathway to treat RA.
类风湿性关节炎（RA）是一种慢性自身免疫性疾病，主要表现为发热、毒素等症状。然而，栀子白皮汤（ZBD）治疗RA的关键成分和分子机制仍不清楚。
本研究旨在通过成分分析、网络药理学和实验验证，探索ZBD治疗RA的作用机制。
采用超高效液相色谱-四极杆飞行时间质谱联用技术（UPLC-Q-TOF-MS）鉴定ZBD的化学成分。此外，通过网络药理学筛选ZBD治疗RA的活性成分，并利用分子对接验证活性成分与ZBD靶点的结合能。然后阐明ZBD对胶原诱导性关节炎（CIA）模型大鼠的作用机制。随后，通过实验验证来验证网络药理学的研究结果。
通过UPLC-Q-TOF-MS共鉴定出84种化学成分。网络药理学结果表明，ZBD可通过血管内皮生长因子（VEGF）途径对RA发挥治疗作用。分子对接显示靶点KDR与活性成分之间具有较强的结合能力。此外，我们对ZBD的五种活性成分进行了定量分析。体内实验表明，ZBD可抑制滑膜血管生成，减轻RA的发生和发展。
总体而言，ZBD对RA具有显著的治疗作用。定性分析、网络药理学、分子对接和体内实验结果表明，ZBD的主要活性成分可通过调节VEGF途径治疗RA。
