Ba‐Wei‐Long‐Zuan granule (BWLZ) is a traditional herbal preparation. It has been widely used for the treatment of rheumatoid arthritis (RA). However, its active ingredients and mechanisms of action are still unclear. The present study aims to reveal the active compounds and anti‐arthritic mechanisms of BWLZ against collagen‐induced arthritis (CIA) by using 1H‐NMR‐based metabolomics, molecular docking and network pharmacology methods. After 30 days of administration, BWLZ could effectively improve the metabolic disorders in CIA rats. The anti‐arthritic effect of BWLZ was related to its restoration of 16 disturbed serum metabolites. Molecular docking and network analysis showed that 20 compounds present in BWLZ could act on multiple targets. Among them, coclaurine and hesperidin showed the highest hit rates for target proteins related to both metabolic regulation and RA, indicating that these two compounds might be potential active ingredients of BWLZ. Moreover, pathway enrichment analysis suggested that the anti‐arthritic mechanisms of BWLZ might be attributed to its network regulation of several biological processes, such as steroid hormone biosynthesis, mTOR signaling pathway, alanine, aspartate and glutamate metabolism, and synthesis and degradation of ketone bodies. These results provide further evidence for the anti‐arthritic properties of BWLZ and are beneficial for its quality control and clinical application. The potential targets and biological processes found in this study may provide valuable information for further studying the molecular mechanisms of BWLZ against RA. In addition, our work provides new insights for revealing the active ingredients and regulatory mechanisms of complex herbal preparations.

中文翻译：

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1H NMR代谢组学结合网络药理学分析揭示八味龙钻颗粒活性成分及抗关节炎作用机制

八味龙钻颗粒（BWLZ）是一种传统的草药制剂。它已被广泛用于治疗类风湿性关节炎（RA）。然而，其活性成分和作用机制尚不清楚。本研究旨在通过使用基于 1H-NMR 的代谢组学、分子对接和网络药理学方法揭示 BWLZ 对胶原诱导性关节炎 (CIA) 的活性化合物和抗关节炎机制。给药30天后，BWLZ可有效改善CIA大鼠的代谢紊乱。BWLZ 的抗关节炎作用与其恢复 16 种紊乱的血清代谢物有关。分子对接和网络分析表明，BWLZ 中存在的 20 种化合物可以作用于多个目标。他们之中，coclaurine 和橙皮苷对与代谢调节和 RA 相关的目标蛋白显示出最高的命中率，表明这两种化合物可能是 BWLZ 的潜在活性成分。此外，通路富集分析表明，BWLZ 的抗关节炎机制可能归因于其对多种生物过程的网络调节，如类固醇激素生物合成、mTOR 信号通路、丙氨酸、天冬氨酸和谷氨酸代谢以及酮体的合成和降解. 这些结果为 BWLZ 的抗关节炎特性提供了进一步的证据，有利于其质量控制和临床应用。本研究中发现的潜在靶点和生物学过程可能为进一步研究 BWLZ 抗 RA 的分子机制提供有价值的信息。此外，