目的 研究七味通痹口服液治疗类风湿性关节炎（rheumatoid arthritis，RA）的主要活性成分和潜在的分子作用机制。方法 通过分子对接获得七味通痹口服液成分作用的潜在靶蛋白，结合文本挖掘、数据库联用检索出与RA相关的靶蛋白，将其投射到KEGG数据库阐释七味通痹口服液的分子作用机制，并采用体外抗炎活性实验进行验证。结果 数据分析结果表明，七味通痹口服液中107个潜在活性成分作用于与RA相关的116个靶点和237条通路。进一步的网络特征分析发现高网络度和介数的分子主要为三萜类、黄酮类、甾醇类和生物碱化合物，部分化合物在实验中对炎症介质的释放具有抑制活性；靶蛋白和通路主要发挥抗炎镇痛，免疫调节，滑膜成纤维细胞的增殖、凋亡、迁移与侵袭和破骨细胞分化、迁移、骨吸收等药理作用。结论 七味通痹口服液的活性成分通过与多个靶点蛋白作用，调控多条生物通路，起到减轻关节炎症和肿痛、防止和减少关节的破坏、促进已破坏的关节和骨修复的作用，为七味通痹口服液药效成分分析和作用机制探索提供了研究基础。

Objective To investigate the major active components and potential molecular mechanism of Qiwei Tongbi Oral Liquid in treatment of rheumatoid arthritis. Methods After protein targets related with rheumatoid arthritis (RA) were collected by mining literature, DrugBank, TTD and OMIM database, the potentional protein targets based on molecular docking were projected into KEGG databases to illustrate the molecular mechanism of Qiwei Tongbi Oral Liquid. Then RAW264.7 cells induced by LPS were employed to test the predict results. Results Data analysis showed that 107 potential components acted on 116 RA related targets and 237 pathways. Herb-compound-target-pathway network analysis showed that triterpenoid, flavonoids, sterols and alkaloids isolated from Qiwei Tongbi Oral Liquid were the main active ingredients. These compounds could interact with a group of targets and pathways that might participate in anti-inflammatory, analgesic, immune regulation, proliferation, apoptosis, migration and invasion of synovial fibroblasts, osteoclast differentiation, migration and bone resorption. Some compounds against anti-inflammatory activity were verified by in vitro. Conclusion The active components of Qiwei Tongbi Oral Liquid could regulate multiple biological pathways by acting with multiple target proteins, playing a role in reducing inflammation and swelling of joints, preventing and reducing the destruction of joint bones, and promoting the repair of damaged joint bones. The research results not only reveal its molecular mechanism and pharmacodynamic components, but also provide a theoretical basis for the subsequent experimental research of Qiwei Tongbi Oral Liquid.

R285.5

江苏省青年基金项目（BK20180268）