摘要
目的:基于网络药理学和生物信息学探究补肾活血胶囊治疗骨性关节炎的分子机制。方法:通过网络药理学和生物信息学的相关手段,对补肾活血胶囊进行活性成分筛选及药物疾病靶点预测,明确补肾活血胶囊治疗骨性关节炎的特异性靶点,分析其信号通路富集程度以探究其可能的分子机制。结果:通过TCMSP数据库检索补肾活血胶囊相应成分1 186个,根据OB值和DL值筛选入血活性成分249个,预测靶点145个;通过疾病基因相关数据库检索与骨性关节炎发生发展相关的已知的靶点基因168个,拓扑分析关键基因188个;根据GO分析结果可知,补肾活血胶囊作用于骨性关节炎主要涉及细胞周期调控、蛋白质定位调控、氧化应激反应和分解代谢过程调控等生物学功能和泛素介导的蛋白水解、雌激素信号转导通路、甲状腺激素信号通路、DNA复制及内质网中的蛋白加工等通路。结论:补肾活血胶囊治疗骨性关节炎具有多成分、多靶点的特点,其分子作用机制是复杂多样的,与多条信号通路均存在直接或间接的关系,主要从促进软骨细胞凋亡和抑制软骨细胞增殖两方面发挥作用,是多因素诱导的综合效应。
Objective： To investigate the molecular mechanism of Bushen Huoxue Capsule in the treatment of osteoarthritis based on network pharmacology and bioinformatics. Methods： The method of network pharmacology and bioinformatics was used to determine and screen the known compounds corresponding to Bushen Huoxue Capsule, and predict the drug-related gene/protein targets, which could determine the specific target of Bushen Huoxue Capsule in treatment of osteoarthritis. Then the signaling pathway enrichment analysis of Bushen Huoxue Capsule to explore its possible molecular mechanism the signal pathway enrichment. Results： A total of 1 186 corresponding compounds were retrieved in the TCMSP database from Bushen Huoxue Capsule. According to the values of OB and DL, 249 active ingredients into the blood steam were screened, and 145 prediction targets were obtained by using the related target prediction technique. And 168 known target genes closely related to the development of osteoarthritis were retrieved in the disease-related database. Using the cytoscape to construct and synthesize the protein-protein interaction network of active ingredients and diseases, 188 key genes were screened out by network topological analysis. According to the GO analysis results, the effect of Bushen Huoxue Capsule on osteoarthritis mainly involved in cell cycle regulation, protein localization, regulation of oxidative stress and metabolism regulation and biological function of ubiquitin mediated proteolysis, signal transduction pathway of estrogen and thyroid hormone signaling, DNA replication and endoplasmic reticulum protein processing pathways and so on. Conclusion： It is multiple component and multiple targets for Bushen Huoxue Capsule in the treatment of osteoarthritis. The molecular mechanism of treatment is complex and diverse, and there is a direct or indirect relationship with multiple signaling pathways. Generally speaking, Bushen Huoxue Capsule treatment of osteoarthritis mainly plays a role in two aspects： promoting the
作者
梁学振
许波
李刚
骆帝
LIANG Xue-zhen;XU Bo;LI Gang;LUO Di(Shandong University of Chinese Medicine, Jinan 250355, Chin)
出处
《中华中医药杂志》
CAS
CSCD
北大核心
2018年第5期2084-2088,共5页
China Journal of Traditional Chinese Medicine and Pharmacy
基金
国家自然科学基金资助项目(No.81774333)
山东省重点研发计划(No.2016GSF202022)~~
关键词
补肾活血胶囊
骨性关节炎
网络药理学
生物信息学
分子机制
信号通路
Bushen Huoxue Capsule
Osteoarthritis
Network pharmacology
Bioinformatics
Molecular mechanisms
Signaling pathway
