基于网络药理学探讨咖啡酸、绿原酸和原儿茶酸对骨关节炎的作用机制

Exploring the Mechanism of Action of Caffeic Acid, Chlorogenic Acid and Protocatechuic Acid on Osteoarthritis Based on Network Pharmacology

摘要: 目的：基于网络药理学探讨咖啡酸、绿原酸和原儿茶酸治对骨关节炎的作用机制。方法：根据前期研究，得到了骨炎消方中的8个化学成分。通过PubChem数据库得到其2D结构后，于STP数据库中预测其相应靶点，同时应用CTD数据库获得骨关节炎的相关靶点，利用韦恩图取成分靶点和疾病靶点的交集，得到关键靶点，并在Cytoscape软件中建立“化学成分–关键靶点–疾病”网络，最后应用分子对接验证成分和关键靶点之间的关系。结果：以Probability > 0.5为条件，筛选出其中3个化学成分(咖啡酸、绿原酸、原儿茶酸)的17个相应靶点，取交集后得到15个关键靶点，利用分子对接，发现成分与关键靶点的对接较稳定。结论：通过网络药理学的研究方法，发现骨炎消方中这三个成分对骨关节炎的发病机制具有一定的影响作用，其可通过抑制炎症反应，调节细胞在生长、凋亡及脂质过氧化等方面发挥重要作用，进而可以降低OA的病理变化，并缓解疾病的症状，延迟病程的进展。

Abstract: Objective: To investigate the mechanism of action of caffeic acid, chlorogenic acid and protocate-chuic acid treatment on osteoarthritis based on network pharmacology. Methods: Based on the preliminary study, eight chemical components in osteoarthritis elimination formula were obtained. The 2D structures were obtained from the PubChem database, and the corresponding targets were predicted in the STP database, while the CTD database was applied to obtain the relevant targets for osteoarthritis. Finally, molecular docking was applied to verify the relationship between compo-nents and key targets. Results: With Probability > 0.5, 17 corresponding targets of three of the chemical components (caffeic acid, chlorogenic acid and protocatechuic acid) were screened, and 15 key targets were obtained after taking the intersection, and using molecular docking, it was found that the docking between the components and the key targets was more stable. Conclusion: Through the research method of network pharmacology, it was found that these three components in Osteitis Dissipation Formula have certain influential effects on the pathogenesis of osteoarthritis, which can play important roles by inhibiting the inflammatory response and regulating cells in growth, apoptosis and lipid peroxidation, and then can reduce the pathological changes of OA and relieve the symptoms of the disease and delay the progression of the disease process.