[关键词]
[摘要]
目的:通过生物信息学方法探析治疗慢性阻塞性肺疾病(COPD)有效方剂补肺益肾方的分子网络及生物功能,为中药复方药理机制研究提供新思路。方法:通过在线数据库查找补肺益肾方中药成分的化合物,在PubChem数据库中检索这些化合物的靶蛋白,运用Ingenuity Pathway Analysis(IPA)软件对二者进行分子网络、生物功能及相关生物学通路的构图和解析。结果:查找到补肺益肾方的靶蛋白共239个,可构建成9个分子网络,其中最相关的前3个分子网络功能为:Cellular Development、Energy Production和Cancer。与补肺益肾方最相关的前3个生物功能为:Cellular Growth and Proliferation、Cell Death and Survival和Inflammatory Response。与补肺益肾方最相关的前3个生物学通路为:Cell Cycle:G1/S Checkpoint Regulation、Chronic Myeloid Leukemia Signaling、Cyclins and Cell Cycle Regulation。结论:通过查找中药化合物靶标并通过IPA软件进行分析的生物信息学方法可以用于解析补肺益肾方的分子网络及生物功能。
[Key word]
[Abstract]
This article was aimed to study the molecular network and bio-function of Bu-Fei-Yi-Shen (BFYS) decoction for chronic obstructive pulmonary disease (COPD) by bioinformatics analysis, in order to provide new ideas for research on pharmacological mechanism of Chinese medicine compound prescription. Components of herbs in BFYS decoction were searched in the databases. Targeted proteins of each component were found from PubChem. Comparison analyses were performed on molecular network, bio-function and canonical pathways by Ingenuity Pathway Analysis (IPA). The results showed that there were 239 target proteins of BFYS decoction. There were 9 molecular networks of BFYS decoction. The top 3 networks’ functions were Cellular Development, Energy Production, and Cancer. The top 3 bio-function of BFYS decoction were Cellular Growth and Proliferation, Cell Death and Survival, and Inflammatory Response. The top 3 canonical pathways of BFYS decoction were Cell Cycle: G1/S Checkpoint Regulation, Chronic Myeloid Leukemia Signaling, and Cyclins and Cell Cycle Regulation. It was concluded that the search of target proteins for herbal compounds and bioinformatics analysis by IPA can be used to reveal the molecular network and bio-function of BFYS decoction.
[中图分类号]
[基金项目]
009年中医药行业科研专项(200907001-4):中医药防治甲型H1N1流感、手足口病、流行性乙型脑炎诊疗机制的研究,负责人:吕爱平;国家自然科学基金委重点项目(81130062):调补肺肾三法调控多维分子网络治疗COPD的作用及远后效应,负责人:李建生;中国中医科学院基本科研业务费自主选题资助项目(Z0294):中医药防治传染病临床科研转化医学模式探索,负责人:李立;中国中医科学院基本科研业务费自主选题资助项目(Z0412):川芎嗪联合氟米特治疗类风湿关节炎疗效分子机制研究,负责人:牛旭艳。