中国中药杂志

2019, v.44(13) 2727-2735

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基于网络药理学的豨莶草治疗缺血性脑卒中作用机制研究
Study on mechanism for treating ischemic stroke of Siegesbeckiae Herba based on network pharmacology

赵帅;吴东雪;陈茜;张燕玲;
ZHAO Shuai;WU Dong-xue;CHEN Xi;ZHANG Yan-ling;State Laboratory of Traditional Chinese Medicine-Information Engineering,State Administration of Traditional Chinese Medicine,School of Chinese Material Medica,Beijing University of Chinese Medicine;

摘要(Abstract):

豨莶草具有治疗缺血性脑卒中的作用,但其作用机制尚未完全阐明。该研究通过数据库及文献检索,结合Lipinski五原则、Veber口服生物利用度规则筛选,获得豨莶草化学成分68个。基于反向找靶获得248个潜在作用靶标,将其映射到缺血性脑卒中疾病靶标集,共获得治疗缺血性脑卒中的47个潜在作用靶标。采用分子对接技术验证了豨莶草成分与潜在靶标具有较好的结合活性。采用Clue GO对潜在靶标进行GO富集分析和通路分析。GO富集分析结果表明豨莶草主要参与神经元凋亡、胆固醇储存以及血压调节等生命过程。通路分析结果表明豨莶草通过调节VEGFA-VEGFR2信号通路中ADAMTS1,FLT1,KDR的表达,促进血管修复与新生;通过调节脑源性神经营养因子信号通路和PI3K-Akt信号通路中CAMK2AA,MDM2,MAPK1,MAPK3,CDK5,MAPK10的表达,启动细胞存活信号,抑制神经元凋亡;通过调节核受体信号通路中ESR1,NR1H3,PPARA,PPARG的表达,调节脂质稳态与炎症。此外,豨莶草还可以通过调节ITGA2B,F2,F10,ALB的表达,阻止血小板聚集,起到抗血栓作用。该文结果表明豨莶草主要通过抗血栓、促进血管新生、保护神经元、抗炎和调节血压血脂等对缺血性脑卒中发挥重要的治疗作用。
Xixiancao( Siegesbeckiae Herba) has the effect of treating ischemic stroke( IS),however,the mechanism has not been fully elucidated. In this study,combined with Lipinski's five principles and Veber oral bioavailability rules,68 chemical components of Xixiancao were obtained by database and literature search. Based on the reverse targeting,248 potential targets were obtained and mapped it to the ischemic stroke target set,47 potential targets for the treatment of ischemic stroke were obtained. Molecular docking technique was used to verify that the Xixiancao component has good binding activity to potential targets. GO enrichment analysis and pathway analysis were performed on potential targets using Clue GO. GO enrichment analysis showed that Xixiancao was mainly involved in life processes such as neuronal apoptosis,cholesterol storage and blood pressure regulation. Pathway analysis showed that Xixiancao may promote vascular repairing and regeneration by regulating the expression of ADAMTS1,FLT1 and KDR in VEGFA-VEGFR2 signaling pathway,activate cell survival signals and inhibit neuronal apoptosis by regulating the expression of CAMK2 AA,MDM2,MAPK1,MAPK3,CDK5 and MAPK10 in brain-derived neurotrophic factor signaling pathway and PI3 K-Akt signaling pathway. Lipid homeostasis and inflammation may also be regulated by Xixiancao through regulating the expression of ESR1,NR1 H3,PPARA,PPARG in the nuclear receptor signaling pathway. In addition,Xixiancao could also prevent platelet aggregation by regulating the expression of ITGA2 B,F2,F10,and ALB,and play an antithrombotic role. The results of this study indicate that Xixiancao plays an important role in the treatment of ischemic stroke mainly through anti-thrombosis,promoting angiogenesis,protecting neurons,anti-inflammatory and regulating blood pressure and lipids.

关键词(KeyWords): 豨莶草;缺血性脑卒中;网络药理学;GO富集分析;通路分析;分子对接
Xixiancao(Siegesbeckiae Herba);ischemic stroke;network pharmacology;GO enrichment analysis;pathway analysis;molecular docking

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金项目(81573831,81430094);; 豨莶通栓胶囊作用机制解析研究(2020071720269);; 中央高校基本科研业务费专项(2018-JYB-ZDSYS005)

作者(Author): 赵帅;吴东雪;陈茜;张燕玲;
ZHAO Shuai;WU Dong-xue;CHEN Xi;ZHANG Yan-ling;State Laboratory of Traditional Chinese Medicine-Information Engineering,State Administration of Traditional Chinese Medicine,School of Chinese Material Medica,Beijing University of Chinese Medicine;

Email:

DOI: 10.19540/j.cnki.cjcmm.20190509.402

参考文献(References):

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