Effective Constituents and Mechanism of Magnoliae Officinalis Cortex for Depressive Disorder Based on Network Pharmacology

Huan-huan WANG; Hong-wei WU; Xin LI; Xiao ZHANG; Jing XU; Fei-fei GUO; Hong ZHANG; Jian-wei FAN; Hong-jun YANG

doi:10.13422/j.cnki.syfjx.20190313

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Effective Constituents and Mechanism of Magnoliae Officinalis Cortex for Depressive Disorder Based on Network Pharmacology

Data Mining | 更新时间：2021-02-09

- Effective Constituents and Mechanism of Magnoliae Officinalis Cortex for Depressive Disorder Based on Network Pharmacology
- Chinese Journal of Experimental Traditional Medical Formulae Vol. 25, Issue 10, Pages: 162-169(2019)
- 作者机构：
  
  1.天津中医药大学，天津　 301617；
  2.中国中医科学院　中药研究所，北京　 100700；
  3.陕西省中医药研究院　中药研究所，西安　 710003；
  4.鲁南制药集团股份有限公司　中药制药共性技术国家重点实验室，山东　临沂　 276006
- 作者简介：
- 基金信息：
- DOI：10.13422/j.cnki.syfjx.20190313
  CLC： R22; R24; R28; C37
- Received：16 July 2018，
  
  Published Online：19 October 2018，
  
  Published：20 May 2019
- 稿件说明：
移动端阅览
Huan-huan WANG, Hong-wei WU, Xin LI, et al. Effective Constituents and Mechanism of Magnoliae Officinalis Cortex for Depressive Disorder Based on Network Pharmacology[J]. Chinese journal of experimental traditional medical formulae, 2019, 25(10): 162-169.
DOI：

Huan-huan WANG, Hong-wei WU, Xin LI, et al. Effective Constituents and Mechanism of Magnoliae Officinalis Cortex for Depressive Disorder Based on Network Pharmacology[J]. Chinese journal of experimental traditional medical formulae, 2019, 25(10): 162-169. DOI： 10.13422/j.cnki.syfjx.20190313.

摘要

目的：

采用网络药理学方法探讨厚朴抗抑郁的物质基础及作用机制。

方法：

通过中国知网，SciFinder，中药系统药理学数据库和分析平台(TCMSP)等数据库收集厚朴药材的主要化学成分；通过BATMAN-TCM数据库筛选出药物成分潜在作用靶标；基于HPO数据库筛选出抑郁疾病相关靶标；采用String数据库对药物成分潜在靶标与抑郁症靶标进行蛋白质相互作用分析，筛选抗抑郁化学成分及其相关靶点，并通过David数据库对其结果进行功能富集分析。基于以上结果，采用Cytoscape v3.5.1软件网络化展现厚朴抗抑郁的“药物靶标-疾病靶标”“化学成分-靶标-信号通路”的网络关系图，并通过网络拓扑分析从中筛选出关键靶标并对其进行“成分-靶标蛋白”的分子对接验证，进一步明确关键抗抑郁成分及其靶点。

结果：

从厚朴收集得到的138种化学成分中筛选得到16个与抑郁症相关的活性成分，涉及74个关键作用靶标；分子对接分析结果表明，与其他成分相比，16种活性成分中的

-衣兰油烯等10种挥发性成分与“药物靶标-疾病靶标”相互作用网络图中的5种关键靶标(degree排名前5)胰岛素受体(INSR)，丝裂原活化蛋白激酶1(MAPK1)，鸟嘌呤核苷酸结合蛋白

抑制3(GNAI3)，磷脂酰肌醇3-激酶受体1(PIK3R1)，选择性受体B1(GNB1)均具有较好的结合活性；并且该类成分与目前治疗抑郁症化药的直接靶标毒蕈碱型乙酰胆碱受体M2(CHRM2)，5-羟色胺受体(HTR)2B和HTR2C也均具有较好的亲和活力；通路富集分析结果表明厚朴抗抑郁作用可能通过调节神经营养因子信号通路，MAPK信号通路，钙离子信号通路，神经活性配体-受体相互作用等发挥作用。

结论：

该研究从网络药理学的角度初步揭示了厚朴抗抑郁的药效物质基础及作用机制，筛选得到16个与抑郁症相关的活性成分，可为抗抑郁药物的开发以及厚朴抗抑郁质量标志物的发现提供参考。

Abstract

Objective:

In this paper

the network pharmacology method was used to explore the material basis and the mechanism of Magnoliae Officinalis Cortex(Houpo) on depressive disorder.

Method:

Firstly

the main chemical components of Houpo were gathered from CNKI

SciFinder

traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP) and other databases.Next

the potential targets of the chemical ingredients in Houpo were searched and selected by BATMAN-TCM database.The targets of depressive disorder were collected from HPO database.Then all the targets were entered into the search tool(String database) for the retrieval of protein-protein interactions so as to confirm antidepressant chemistries and their related targets.Furthermore

the functional enrichment analysis was carried out through the David database.Based on these above results

the networks of " drug targets-disease targets" and " compounds-targets-pathways" of Houpo on depressive disorder were built by Cytoscape v3.5.1 software

respectively.Network topology analysis was used to screen the key targets and the corresponding components.Then molecular docking verification of " component-target proteins" was further conducted.

Result:

A total of 16 active compounds involving in 74 key targets for depressive disorder were selected and confirmed from 138 chemical components of Houpo.Molecular docking analysis showed that compared with other components

ten volatile components in the 16 active compounds had good binding activities with the top 5 key targets[the top 5 of degree value

including insulin receptor(INS)

mitogen-activated protein kinase 1(MAPK1)

guanine nucleotide binding protein alpha inhibition 3(GNAI3)

phosphatidylinositol 3-kinase receptor 1(PIK3R1) and selective receptor B1(GNB1)] and the 3 direct acting targets of popular drugs for depression [muscarinic acetylcholine receptor M2(CHRM2)

5-hydroxytryptamine receptor(HTR)2B and HTR2C]. The functional enrichment analysis showed the antidepressant mechanism of Houpo mainly involved neurotrophin signaling pathway

MAPK signaling pathway

calcium signaling pathway and neuroactive ligand-receptor interaction

etc.

Conclusion:

This study reveals the active ingredients and the mechanism of anti-depression of Houpo based on network pharmacology

a total of 16 key active ingredients related to anti-depression are selected.This paper can provide references for development of antidepressants and the discovery of quality markers of Houpo for anti-depression.

关键词

Keywords

references

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