基于网络药理学研究女贞子-淫羊藿药对活性成分抗骨质疏松的分子机制

Investigation on molecular mechanism involved in anti-osteoporosis effect of active components contained in fructus ligustri lucidi and herba epimedii maxim based on network pharmacology

目的基于网络药理学探讨女贞子-淫羊藿中活性成分,通过筛选抗骨质疏松症(osteoporosis,OP)的活性靶点,完成“活性成分-靶点-通路”的图解,阐述女贞子-淫羊藿联合应用的分子调控机制及其配伍的科学性。方法女贞子和淫羊藿的活性成分使用中药系统药理数据库和分析平台(TCMSP)进行筛查,采用维恩图对其进行筛查,OP的活性靶点运用疾病靶点数据库进行筛选,将以上数据导入网络可视化软件Cytoscape 3.7.1进行整理,对有效靶点可以使用KEGG数据库进行信号通路富集分析。结果女贞子、淫羊藿活性成分根据药物相似性(DL)和口服生物利用度(OB)值检索出潜在活性成分共33个,及其相对应的227个潜在作用靶点;检索疾病靶点数据库得出与OP密切相关的靶点190个;KEGG通路富集分析,治疗OP的关键通路主要为破骨细胞分化通路、癌症途径等12条信号通路。结论女贞子-淫羊藿配伍的多成分在治疗OP方面具有多靶点、多通路的中医药特点。

Objective To clarify active components in fructus ligustri lucidi-herba epimedii maxim based on network pharmacology,to set up and analyze molecular regulation network consisting of active compounds-targets-pathway involved in anti-osteoporosis effect,and to demonstrate the scientific principle of combined use of fructus ligustri lucidi-herba epimedii maxim.Methods The active components in fructus ligustri lucidi-herba epimedii maxim were screened using TCMSP.The effective targets acted by fructus ligustri lucidi-herba epimedii maxim were clarified using Venn diagram by targeting prediction approach combined with bioinformatics.The target signal pathway GO analysis was performed with DAVID after organizing effective targets with network visual software Cytoscape 3.7.1.Results Thirty-three active compounds were obtained from fructus ligustri lucidi-herba epimedii maxim based on OB and DL value from TCMSP,and accordingly 227 action targets were explored.One hundred and ninety targets,highly correlating with osteoporosis,were found through searching from disease targets database.The 12 key pathways,potentially applied for treating osteoporosis,including osteoclasts differentiation and cancer pathway,were identified after KEGG analysis.Conclusion The multiple components contained in herbal pair of fructus ligustri lucidi-herba epimedii maxim could be used in management of osteoporosis with TCM characteristics.