Mechanism of Ficus hirta-Hypericum perforatum in treatment of microvascular angina based on network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20210902.401
- Author:
Si-Jia LAI
1
;
Da-Yang WANG
2
;
Tian-Li LI
1
;
Feng-Lan PU
3
;
Xian WANG
2
Author Information
1. Dongzhimen Hospital Affiliated to Beijing University of Chinese Medicine Beijing 100700, China Beijing University of Chinese Medicine Beijing 100029, China.
2. Dongzhimen Hospital Affiliated to Beijing University of Chinese Medicine Beijing 100700, China Cardiovascular Disease Institute of Beijing University of Chinese Medicine Beijing 100700, China.
3. Beijing University of Chinese Medicine Beijing 100029, China.
- Publication Type:Journal Article
- Keywords:
Ficus hirta;
Hypericum perforatum;
microvascular angina;
molecular docking;
network pharmacology
- MeSH:
Drugs, Chinese Herbal/pharmacology*;
Ficus;
Humans;
Hypericum;
Medicine, Chinese Traditional;
Microvascular Angina;
Molecular Docking Simulation;
Network Pharmacology
- From:
China Journal of Chinese Materia Medica
2021;46(24):6474-6483
- CountryChina
- Language:Chinese
-
Abstract:
The active ingredients of Ficus hirta and Hypericum perforatum were collected from Traditional Chinese Medicine Database and Analysis Platform(TCMSP) and related papers. The potential targets of these two medicinal herbs were searched from HERB database, and those associated with microvascular angina were screened out from GeneCards, Online Mendelian Inheritance in Man(OMIM), Therapeutic Target Database(TTD), and HERB. Cytoscape was used to construct a protein-protein interaction(PPI) network of the common targets shared by the two herbs and microvascular angina based on the data of String platform. Metascape was employed to identify the involved biological processes and pathways enriched with the common targets. Cytoscape was used to draw the "active ingredient-target-pathway" network. AutoDock Vina was used to dock the core ingredients with the key targets. A total of 19 potential active ingredients and 71 potential targets were identified to be associated with microvascular angina. Bioinformatics analysis showed that phosphatidylinositol-3-kinase/protein kinase B(PI3 K-AKT), interleukin-17(IL17), hypoxia-inducible factor 1(HIF-1) and other signaling pathways were related to the treatment of microvascular angina by F. hirta and H. perforatum. Molecular docking results showed that β-sitosterol, luteolin and other ingredients had strong affinity with multiple targets including mitogen-associated protein kinase 1(MAPK1), epidermal growth factor receptor(EGFR) and so on. These findings indicated that F. hirta and H. perforatum may regulate PI3 K-AKT, IL17, HIF-1 and other signaling pathways by acting on multiple targets to alleviate oxidative stress, inhibit inflammatory response, regulate angiogenesis, and improve vascular endothelium and other functions. This study provides reference for in vitro and in vivo studies of the treatment of microvascular angina.
