基于网络药理学分析重用生白术组方治疗小儿功能性便秘的作用机制

doi:10.3969/j.issn.1000-8535.2020.05.019

广州医药 ›› 2020, Vol. 51 ›› Issue (5): 84-89.DOI: 10.3969/j.issn.1000-8535.2020.05.019

基于网络药理学分析重用生白术组方治疗小儿功能性便秘的作用机制

梁学玲¹, 秦艳虹²

1 山西中医药大学(太原 030000)
2 山西中医药大学附属医院( 太原 030000)

收稿日期:2020-04-02 出版日期:2020-09-20 发布日期:2021-11-28
通讯作者: 秦艳虹,E-mail:yanhongqin121@126.com
基金资助:
国家自然科学基金(81874489)

Mechanism of reusing Atractylodes macrocephala formula in the treatment of children's functional constipation based on the analysis of network pharmacology

LIANG XueLing¹, QIN Yanhong²

1 Shanxi University of Traditional Chinese Medicine, Taiyuan 030000,China
2 Affiliated Hospital of Shanxi University of Traditional Chinese Medicine, Taiyuan 030000,China

Received:2020-04-02 Online:2020-09-20 Published:2021-11-28

摘要/Abstract

摘要： 目的运用网络药理学方法预测生白术活性成分、作用靶点及生物学意义,探讨其防治便秘的作用机制,并结合导师临床应用取得的疗效进行进一步的验证。方法借助TCMSP在线数据库查找白术的药效成份并选择其生物利用度(OB)>30%且类药性(DL)>0.18的化合物,并查询每种成分所对应的靶标。通过Gene Cards、OMIM共2个疾病相关靶点的数据库检索便秘相关靶点信息。将二者靶基因相映射获得交集靶点。借助 cytoscape 3.7.1 软件对查询结果进行可视化。所得到的基因通过相互作用数据库(STRING)进行相互作用蛋白查询并构建蛋白质相互作用(PPI)网络。使用R语言对关键靶点行GO和KEGG富集分析,以构建“成分-靶点-信号通路”的网络。结果共得到白术人源靶蛋白7个,便秘相关的人源基因2 859个。发现其主要通过干预PGR、CHRM3、CHRM1、ACHE、CHRM2五个基因并参与胆碱能突触、钙信号通路、肌动蛋白细胞骨架的调控、神经活性配体-受体相互作用、cAMP信号通路、PI3K-AKT信号通路共6条信号通路以达到防治便秘的效果。结论应用网络药理学方法分析预测得到重用生白术防治便秘的潜在药效成分、作用靶点及其信号通路,为临床应用提供了理论依据。

关键词: 生白术, 便秘, 网络药理学, 通路分析

Abstract: Objective To predict the active ingredients, targets and biological significance of Atractylodes macrocephala by network pharmacology, to explore the mechanism of its prevention and treatment of constipation, and to further verify its efficacy in combination with the clinical application of tutors. Methods The constituents of Atractylodes macrocephala were searched by TCMSP database and the compounds with bioavailability (OB) > 30% and drug-like property (DL) > 0.18 were screened, and the corresponding targets of each constituent were queried. Constipation-related target information was retrieved from two disease-related target databases of GeneCards and OMIM, mapping the two target genes to obtain intersecting targets, by visualization of query results with cytoscape 3.7.1. The resulting genes were queried by the interaction database (STRING) and the protein interaction (PPI) network was constructed. GO and KEGG enrichment analysis of key targets was carried out by R language in order to construct the network of “component-target-signal pathway”. Results Seven human target proteins and 2 859 constipation related human genes were obtained from Atractylodes macrocephala. It was found that the effect of prevention and treatment of constipation was mainly achieved by interfering with five genes of PGR, CHRM3, CHRM1, ACHE and CHRM2 and participating in six signaling pathways: cholinergic synapse, calcium signaling pathway, regulation of actin cytoskeleton, neuroactive ligand-receptor interaction, cAMP signaling pathway and PI3K-AKT signaling pathway. Conclusion The potential pharmacodynamic components, targets and signaling pathways of reuse Rhizoma atractylodis macrocephalae in the prevention and treatment of constipation can be predicted by network pharmacological method, which provides a theoretical basis for clinical application.

Key words: Rhizoma atractylodis macroce, Constipation, Network pharmacology, Path analysis

梁学玲, 秦艳虹. 基于网络药理学分析重用生白术组方治疗小儿功能性便秘的作用机制[J]. 广州医药, 2020, 51(5): 84-89.

LIANG XueLing, QIN Yanhong. Mechanism of reusing Atractylodes macrocephala formula in the treatment of children's functional constipation based on the analysis of network pharmacology[J]. Guangzhou Medical Journal, 2020, 51(5): 84-89.

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基于网络药理学分析重用生白术组方治疗小儿功能性便秘的作用机制

Mechanism of reusing Atractylodes macrocephala formula in the treatment of children's functional constipation based on the analysis of network pharmacology

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