Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease

Song SHENG; Zhi-xu YANG; Feng-qin XU; Ye HUANG

doi:10.1007/s11655-020-3199-z

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Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease

Original Article | Updated：2021-08-16

- Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease
- Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease
- Chinese Journal of Integrative Medicine 2021年27卷第2期页码：106-114
- Affiliations：
  
  1.Emergency Department, Xiyuan Hospital of China Academy of Chinese Medical Sciences, Beijing (100091), China
  2.Institute of Geriatrics, Xiyuan Hospital of China Academy of Chinese Medical Sciences, Beijing (100091), China
- Author bio：
  
  Correspondence to: Dr. HUANG Ye, E-mail: yellow_926@126.com
- Funds：
  
  the National Natural Science Foundation of China
- DOI：10.1007/s11655-020-3199-z
  中图分类号：
- 纸质出版日期：2021-02-01，
  
  网络出版日期：2020-05-09，
  
  录用日期：2020-03-09
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Song SHENG, Zhi-xu YANG, Feng-qin XU, 等. Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease[J]. Chinese Journal of Integrative Medicine, 2021,27(2):106-114.

Song SHENG, Zhi-xu YANG, Feng-qin XU, et al. Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease[J]. Chinese Journal of Integrative Medicine, 2021,27(2):106-114.
Song SHENG, Zhi-xu YANG, Feng-qin XU, 等. Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease[J]. Chinese Journal of Integrative Medicine, 2021,27(2):106-114. DOI： 10.1007/s11655-020-3199-z.

Song SHENG, Zhi-xu YANG, Feng-qin XU, et al. Network Pharmacology-Based Exploration of Synergistic Mechanism of Guanxin Ⅱ Formula (冠心Ⅱ号方) for Coronary Heart Disease[J]. Chinese Journal of Integrative Medicine, 2021,27(2):106-114. DOI： 10.1007/s11655-020-3199-z.

摘要

Abstract

Objective:

To study the pharmacological mechanism of Guanxin Ⅱ formula (冠心Ⅱ号方

GX Ⅱ) for treatment of coronary heart disease (CHD).

Methods:

A network pharmacology-based method was utilized. First candidate compounds

targets of GX Ⅱ were collected using PharmMapper

BATMAN-TCM

DrugBank and SwissTargetPrediction

and targets on CHD were mined from GeneCards

DisGenet

DrugBank and GEO. Afterwards

the big hub compounds and targets were chosen in the candidate compounds-direct therapeutic targets on the CHD (C-T) network and the direct therapeutic targets on the CHD (T-D) network. Furthermore

the Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis were performed to identify the enriched terms. Finally

a molecular docking simulation strategy was adopted to verify the binding capacity between the big hub compounds and big hub targets on CHD.

Results:

First

114 candidate compounds were selected with the following criteria: OB 30%

DL 0.18

and HL 4 h. Then

035 targets of GX Ⅱ were gathered

while 928 targets on CHD were collected. Afterwards

196 common targets of compound targets and therapeutic targets on CHD were defined as direct therapeutic targets acting on CHD. In addition

the contribution index (CI) in the C-T network was calculated

and 4 centrality properties

including degree

betweenness

closeness and coreness

in the T-D network

4 big hub compounds

and 6 big hub targets were eventually chosen. Furthermore

the GO and KEGG analysis indicated that GX Ⅱ acted on CHD by regulating the reactive oxygen species metabolism

steroid metabolism

lipid metabolism

inflammatory response

proliferation

differentiation and apoptosis. The docking results manifested excellent binding capacity between the 4 big hub compounds and 6 big hub targets on CHD.

Conclusion:

This network pharmacology-based exploration revealed that GX Ⅱ might prevent and inhibit the primary pathological processes of CHD.

关键词

Keywords

network pharmacologyGuanxin Ⅱ formulaChinese medicinecoronary heart diseasemolecular docking

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