目的 通过网络药理学和分子对接技术探讨巴戟天治疗膝骨关节炎的作用靶点及分子机制。方法 利用TCMSP、ETCM、BATMAN-TCM数据库筛选巴戟天的有效成分及相关靶基因，利用OMIM、GeneCards、DisGeNET数据库获取膝骨关节炎相关靶基因，筛选共同靶点并构建“药物–成分–靶点”网络与蛋白质相互作用（PPI）网络，进行交集靶点的基因主体（GO）及京都基因与基因组百科全书（KEGG）富集分析，并展开分子对接验证。结果 筛选出巴戟天83个活性成分，与膝骨关节炎相关的364个共同靶点，其中信号转导和转录激活因子3（STAT3）、非受体酪氨酸激酶（SRC）、AP-1基因（JUN）、等为核心靶点。GO和KEGG富集分析结果显示巴戟天治疗膝骨关节炎主要与炎症、脂质代谢、信号调控有关。分子对接结果表明，巴戟天的有效成分与JUN、蛋白激酶B1（Akt1）、丝裂原活化蛋白激酶1（MAPK1）、非受体型蛋白酪氨酸磷酸酶11（PTPN11）有良好的结合性。结论 巴戟天可能通过减轻炎症反应、调节软骨细胞的凋亡等，有效缓解膝骨关节炎患者的症状并延缓疾病进程，为后续实验研究提供方向。

Objective To explore the action targets and molecular mechanisms of Morinda officinalis in reatment of knee osteoarthritis through network pharmacology and molecular docking technology. Methods TCMSP, ETCM, and BATMAN-TCM database was used to screen the active ingredients and related target genes of Morinda officinalis. OMIM, GeneCards, and DisGeNET databases were integrated to obtain knee osteoarthritis-related target genes. The intersection targets were screened, and the “drug – ingredient -target” network and PPI network were constructed. GO and KEGG enrichment analyses of the intersection targets were performed, and molecular docking verification was carried out. Results 83 Active ingredients of Morinda officinalis and 364 intersection targets related to knee osteoarthritis were screened out, among which STAT3, SRC, JUN, etc. were the core intersection targets. The results of GO and KEGG enrichment analyses showed that the treatment of knee osteoarthritis with Morinda officinalis was mainly related to inflammation, lipid metabolism, and signal regulation. The molecular docking results indicated that the active ingredients of Morinda officinalis had good binding ability with JUN, Akt1, MAPK1, and PTPN11. Conclusion Morinda officinalis may effectively relieve the symptoms of knee osteoarthritis patients and delay the disease process by reducing the inflammatory response and regulating the apoptosis of chondrocytes, providing a direction for subsequent experimental research.

R285.5

北京中医药大学重点攻关项目（2020-JYB-ZDGG-142-5）