肉苁蓉治疗骨质疏松作用机制的网络药理学研究

目的:采用网络药理学方法研究肉苁蓉治疗骨质疏松的作用机制。方法:通过检索中药系统药理学分析平台(TCMSP)获取肉苁蓉的活性成分,采用反向分子对接服务器DRAR-CPI及相关数据库GeneCards、OMIM筛选肉苁蓉活性成分治疗骨质疏松的作用靶标;采用软件Cytoscape构建肉苁蓉的"成分-靶标"网络,结合数据库String和Cytoscape绘制靶标间相互作用关系;通过服务器Systems Dock WebSite将靶标与活性成分进行分子对接评估二者间的结合活性以进行验证;最后再利用数据库DAVID对靶标基因进行基因本体分类富集分析与京都基因与基因组百科全书通路富集分析。结果:从肉苁蓉中筛选出的活性成分有13个,主要为毛蕊花糖苷、益母草碱、京尼平酸等;活性成分作用的潜在靶标有43个,主要有成骨分化特异性转录分子2(RUNX2)、血管内皮生长因子(VEGF)、白细胞介素6(IL-6)、骨生长蛋白因子(BGP)、肿瘤坏死因子(TNF)等;靶标作用涉及的信号通路有多条,主要为WNT(Wingless/Integrated)、VEGF、TNF等。结论:本研究初步探讨并验证了肉苁蓉治疗骨质疏松的主要靶标和通路,为后续进一步研究其作用机制奠定了基础。

Network Pharmacology Exploration of the Mechanism of Cistanche deserticola in the Treatment of Osteoporosis

OBJECTIVE:To study the mechanism of Cistanche deserticola in the treatment of osteoporosis by network pharmacology.METHODS:The active components of C.deserticola were retrieved and obtained by TCM system platform(TCMSP).Reverse molecular docking server DRAR-CPI and related databases GeneCards and OMIM were used to screen the target of C.deserticola active ingredients in the treatment of osteoporosis.The“component-target”network of C.deserticola was constructed by Cytoscape software,and the interaction between targets was plotted by String database and Cytoscape software.The combination activity of target and active ingredient was evaluated via molecular docking with Systems Dock WebSite server.GO classification and enrichment analysis and KEGG pathway enrichment analysis were conducted for target genes using DAVID database.RESULTS:Totally 13 active ingredients were screened out from C.deserticola,such as verbascoside,leonurine,geniposidic acid.There were 43 active ingredient-treated potential targets,such as RUNX2,VEGF,IL-6,BGP,TNF.Multiple signaling pathways were involved in target action,such as WNT(Wingless/Integrated),VEGF,TNF.CONCLUSIONS:This study preliminarily explores and validates the main targets and pathways of C.deserticola in the treatment of osteoporosis,which lay the foundation for further study of its mechanism.