基于网络药理学的羌活-独活药对抗炎作用机制研究
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篇名: 基于网络药理学的羌活-独活药对抗炎作用机制研究
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摘要: 目的:预测羌活-独活药对抗炎活性成分及其作用机制。方法:根据口服生物利用度≥30%和类药性≥0.18的原则分别筛选羌活、独活的活性成分,通过中药系统药理学分析平台(TCMSP)对羌活、独活的潜在作用靶点进行预测和筛选,然后以“Anti-inflammatory”为关键词在人类基因数据库Genecards中检索炎症相关靶基因,并与羌活、独活中活性成分靶基因映射筛选出共同靶点,再利用Cytoscape 3.5.1软件建立活性成分-靶点网络。将筛选得到的靶点在相互作用基因/蛋白质搜索工具平台STRING V 10.5构建其靶蛋白相互作用(PPI)网络,并进行京都基因与基因组百科全书(KEGG)信号通路和基因本体(GO)富集分析,以研究其抗炎机制。结果:从羌活、独活药对中共筛选得到香豆素、β-谷甾醇、欧前胡素、紫花前胡苷等15个活性成分,作用于转录因子AP-1、磷脂酰肌醇激酶3r亚基、雌激素受体等49个靶点,主要涉及乙型肝炎、细胞凋亡等19条信号通路,参与炎症反应调节、前列腺素类生物合成等47个生物过程。结论:预测了羌活-独活药对活性成分多靶点、多通路、多生物过程的抗炎机制,为其进一步的抗炎机制研究指明了方向。
ABSTRACT: OBJECTIVE: To predict the anti-inflammatory active components and mechanism of couplet medicine of Notopterygium incisum-Angelica pubescens. METHODS: According to the principle of oral bioavailability≥30% and drug- likeness≥0.18, active components of N. incisum and A. pubescens were screened; TCMSP was used to predict and screen the potential target of them. Using “Anti-inflammatory” as keyword, inflammatory related target genes were retrieved from human gene database Genecards. Common target was screened by mapping the target genes of active ingredients from couplet medicine of N. incisum-A. pubescens. The active ingredient-target network was established by using Cytoscape 3.5.1 software. The screened targets were used to construct the target protein interaction (PPI) network on the STRING V 10.5 platform. Its anti-inflammatory mechanism was studied by KEGG signaling pathway and GO biological enrichment analysis. RESULTS: Totally 15 active components such as coumarin, beta-sitosterol, ammidin, nodakenin were selected from couplet medicine of N. incisum-A. pubescens. Acting on 49 targets such as transcription factor AP-1, PI3-kinase subunit gamma, estrogen receptor, they mainly involved 19 signaling pathways such as hepatitis B and cell apoptosis, and were involved in 47 biological processes such as regulating inflammatory response and prostaglandin biosynthesis. CONCLUSIONS: The anti-inflammatory mechanism of active components of couplet medicine of N. incisum-A. pubescens on multi-target, multi-channel and multi-biological processes is predicted, and it points out the direction for further anti-inflammatory mechanism study.
期刊: 2019年第30卷第9期
作者: 段凯旋,李跃文,刘和波,王博龙
AUTHORS: DUAN Kaixuan,LI Yuewen,LIU Hebo,WANG Bolong
关键字: 羌活;独活;药对;抗炎机制;靶蛋白相互作用;信号通路
KEYWORDS: Notopterygium incisum; Angelica pubescens; Couplet medicine; Anti-inflammatory mechanism; Target protein interaction; Signaling pathway
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