Molecular Mechanism of Nardostachyos Radix et Rhizoma-Agrimoniae Herba in Treatment of Arrhythmia Based on Network Pharmacology
10.13422/j.cnki.syfjx.20220213
- VernacularTitle:基于网络药理学分析调肝益气定悸药对甘松-仙鹤草治疗心律失常的分子机制
- Author:
Yu-zhen AI
1
;
Xiao-juan MA
1
;
Ya-xuan XING
2
;
Long-mei YAN
2
;
An-ran GAO
2
;
Qi-wu XU
2
;
Zhi-jie XU
2
;
Xian-yu WU
2
;
Hui-rong GAO
2
;
Jing-chun ZHANG
1
Author Information
1. National Clinical Research Center for Chinese Medicine Cardiology，Xiyuan Hospital， China Academy of Chinese Medical Sciences，Beijing 100091，China
2. Beijing University of Chinese Medicine，Beijing 100029，China
- Publication Type:Journal Article
- Keywords:
Nardostachyos Radix et Rhizoma;
Agrimoniae Herba;
arrhythmia;
network pharmacology;
molecular docking
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2022;28(3):204-211
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveTo explore the material basis and mechanism of Nardostachyos Radix et Rhizoma （NRER）-Agrimoniae Herba （AH）， the herbal pair effective in regulating the liver， invigorating Qi， and calming palpitations， in the treatment of premature ventricular contractions （PVCs） by network pharmacology and molecular docking. MethodThe chemical components and targets of NRER and AH were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform （TCMSP） combined with relevant literature. GeneCards，Online Mendelian Inheritance in Man（OMIM），and DrugBank were used to predict the potential targets against PVCs. STRING platform was used for protein-protein interaction （PPI） analysis. Metascape platform was used for Gene Ontology（GO） and Kyoto Encyclopedia of Genes and Genomes（KEGG） enrichment analysis. Cytoscape 3.8.0 was used to construct the NRER-AH component-potential target-signaling pathway network. The main target proteins underwent molecular docking to the active components of NRER-AH by AutoDock 4.2.6. ResultThe targets of nine active components in NRER-AH （such as quercetin，kaempferol，and acacetin） against PVCs mainly involved tumor necrosis factor （TNF），mitogen-activated protein kinase 1（MAPK1），and protein kinase B1（Akt1）. The potential targets were mainly enriched in 26 signaling pathways，such as pathways in cancer and the advanced glycosylation end product （AGE）-receptor of advanced glycosylation end product（RAGE） signaling pathway. The results of molecular docking showed that the majority of the active components （92.59%） of NRER-AH had good binding activities with the main target proteins TNF，MAPK1，and Akt1. ConclusionThe active components of NRER-AH can regulate cardiac ion channels，resist inflammation， and combat oxidative stress to treat PVCs through multi-target and multi-pathway interventions. They can also improve symptoms related to depression and anxiety by inhibiting monoamine oxidase activity and protecting nerves from damage. This study is expected to provide research ideas and the theoretical basis for further exploring the material basis and mechanism of NRER-AH in the treatment of PVCs.
