目的 基于网络药理学和分子对接研究覆盆子作用于绝经后骨质疏松的成分、靶点及作用机制。方法 利用TCMSP、GeneCards、OMIM、TTD、DisGeNET等数据库并查询文献报道资料收集覆盆子的活性成分及靶点、疾病靶点，采用String数据库和Cytoscape软件对活性成分–靶点和绝经后骨质疏松靶点的蛋白相互作用（PPI）网络进行构建，通过R Studio软件进行基因本体论（GO）和京都基因与基因组百科全书（KEGG）通路的富集分析，对预测结果进行分子对接验证。结果 共筛选出覆盆子有效成分16个，其中包括β-谷甾醇、熊果酸、覆盆子素A、谷甾醇、覆盆子素B、鞣花酸、齐墩果酸等为覆盆子作用于绝经后骨质疏松的核心成分，筛选出白蛋白（ALB）、酪氨酸蛋白激酶（SRC）、半胱氨酸天冬氨酸蛋白酶-3（CASP3）、基质金属蛋白酶9（MMP-9）、雌激素受体α（ESR1）、Harvey肉瘤病毒癌基因同源物（HRAS）、过氧化物酶体增殖物激活受体γ（PPARG）、有丝分裂原活化蛋白激酶1（MAPK1）、丝裂原活化蛋白激酶14（MAPK14）等核心靶点，并富集得到多条GO功能和KEGG通路，如化学致癌–受体激活、磷脂酰肌醇3-激酶（PI3K）–蛋白激酶B（Akt）信号通路、脂质与动脉粥样硬化、丝裂原活化蛋白激酶（MAPK）信号通路、癌症中的蛋白多糖等，且分子对接结果良好。结论 覆盆子可能通过多个成分、多个靶点、多条信号通路发挥治疗绝经后骨质疏松的作用。

Objective To study the components, targets, and mechanism of Rubi Fructus in treatment of postmenopausal osteoporosis by network pharmacology and molecular docking. Methods Active components, component targets, and disease targets of Rubi Fructus were collected by using TCMSP, GeneCards, OMIM, TTD, and DisGeNET databases and seeking the literature data. The drug active components-target network and the interaction network of postmenopausal osteoporosis targets were constructed using String database and Cytoscape software. The enrichment analysis of GO and KEGG pathways was performed using the CludterProfiler package in R Studio software. Finally, the prediction results were verified by molecular docking. Results A total of 16 active components of Rubi Fructus were screened, including β-sitosterol, ursolic acid, rubusin A, sitosterol, rubusin B, ellagic acid, and oleanolic acid, which were the core components of Rubi Fructus in treatment of postmenopausal osteoporosis. Core targets such as ALB, SRC, CASP3, MMP-9, ESR1, HRAS, PPARG, MAPK1, and MAPK14 were screened. Several GO functions and KEGG pathways were enriched, such as chemical carcinogenic-receptor activation, PI3K-Akt signaling pathway, lipids and atherosclerosis, MAPK signaling pathway, proteoglycan in cancer, etc., and the molecular docking results were good. Conclusion Rubi Fructus can treat postmenopausal osteoporosis through multiple components, multiple targets and multiple signaling pathways.

十堰市太和医院科研项目（2016JJXM013）