一贯煎“异病同治”的网络药理学分析  

Network Pharmacological Analysis of Yi-Guan Decoction on “Different Diseases with Same Treatment”

作　　者：杨梦蝶 蔡菲菲[1] 武容 陈晓乐[1] 潘秋莎 胡元佳[2] 苏式兵[1] 

机构地区：[1]上海中医药大学中医复杂系统研究中心,上海201203 [2]澳门大学中药质量研究国家重点实验室,澳门999078

出　　处：《世界科学技术-中医药现代化》2017年第12期1912-1919,共8页Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology

基　　金：国家自然科学基金委重点项目:基于系统生物学的原发性肝癌和大肠癌"异病同证"和"异病同治"的研究(81330084);负责人:苏式兵;上海市教委E-研究院中医内科建设计划资助项目:基于系统生物学的证候与辨证施治研究(E03008);负责人:苏式兵

摘　　要：目的:运用网络药理学技术预测一贯煎的化学成分、药物靶点和潜在疾病,探讨其治疗肝肾阴虚证"异病同治"的机制。方法:采用TCMSP、TCM database@Taiwan、TCMID、HIT、Drugbank、Pub Chem、TTD等数据库查找一贯煎药物化学成分、靶点和对应疾病,运用Cytoscape软件构建中药成分-靶点-疾病网络模型,并分析网络的拓扑结构,通过DAVID在线网站对一贯煎的GO生物学过程和KEGG通路进行富集分析。结果:共查找到一贯煎中北沙参、麦冬、当归、生地黄、川楝子、枸杞子六味药的849种化学成分,其中口服生物利用度(OB)≥30%和类药性指数(DL)≥0.18,并可以找到对应靶点的活性成分有49种,对应200个靶点蛋白与264种疾病。显著富集的前三个GO生物学过程为药物应答、RNA聚合酶II启动子转录的正调控、调节转录DNA模板。显著富集的前三个KEGG通路为癌症通路、乙型肝炎及前列腺癌。结论:我们对一贯煎进行的网络药理学分析结果有助于探讨一贯煎治疗不同疾病肝肾阴虚证"异病同治"的作用机制,并为发现新的临床适应病症及潜在的药物提供线索。This study was aimed to predict active compounds, drug targets and potential diseases of Yi-Guan decoction（YGD） by network pharmacological technology, and to clarify molecular mechanisms of YGD efficiency on different diseases with liver and kidney yin deficiency syndrome（LKYDS）. Chemistry compounds, targets and related diseases from YGD were collected from TCMSP, TCM Database@Taiwan, TCMID, HIT, Drugbank, Pub Chem and TTD databases.The YGD compounds-targets-diseases network was constructed. The network topology was analyzed by Cytoscape software. The analysis of GO biological processes and KEGG pathways enrichment were performed by DAVID website.The results showed that 849 chemical compounds were identified from Beishashen, Maidong, Danggui, Shengdihuang,Chuanlianzi and Gouqizi. There were 49 active CHM compounds that were both oral bioavailability（OB） ≥ 30% and drug-likeness（DL） ≥ 0.18, corresponding to 200 target proteins and 264 diseases. The top three GO biological processes were response to organic substance, regulation of cell proliferation, and response to endogenous stimulus, respectively.The top three KEGG pathways were pathways in cancer, hepatitis B, and prostate cancer, respectively. It was concluded that the analysis on YGD was conducted based on network pharmacology, and the compound-target-disease network was built, which may help to clarify the mechanisms of YGD efficiency on different diseases with LKYDS. It can provide clues to find new potential clinical adaptation of disease and new drugs.

关 键 词：一贯煎 网络药理学 异病同治 机制 

分 类 号：R285[医药卫生—中药学]