Role of Naoan capsules in treatment of ischemic stroke by network pharmacology combined with GEO database and molecular docking
10.13699/j.cnki.1001-6821.2024.03.027
- VernacularTitle:基于网络药理学联合GEO数据库及分子对接探究脑安胶囊治疗缺血性脑卒中的作用
- Author:
Shu-Xian YANG
1
;
A-Ning SUN
;
Bin ZHU
;
Wei-Zhong SHI
;
Zhi-Gang ZHAO
Author Information
1. 首都医科大学附属北京天坛医院药学部,北京 100070
- Keywords:
Naoan capsule;
ischemic stroke;
Gene Expression Omnibus database;
network pharmacology;
molecular mechanism
- From:
The Chinese Journal of Clinical Pharmacology
2024;40(3):435-439
- CountryChina
- Language:Chinese
-
Abstract:
Objective To predict and verify the mechanism of Naoan capsules(NAC)in treatment of ischemic stroke(IS)by network pharmacology,Gene Expression Omnibus(GEO)database,and molecular docking technology.Methods The active components in NAC were collected using the Traditional Chinese Medicine System Pharmacological Analysis Platform,and the disease-related differential genes were screened using GEO database.After screening and obtaining the common targets of the two,the compound disease network was constructed by Cytoscape 3.8.2 software.At the same time,protein-protein interaction networks were created to identify candidate targets for NAC treatment of IS,and gene ontology and Kyoto encyclopedia of genes and genomes enrichment analyses were performed.Finally,core targets were verified by molecular docking technology.Results A total of 56 candidate compounds and 18 544 disease-related differential genes were screened.Further,quercetin,kaempferol,luteolin and baicalein were found to be the key active compounds of NAC in the treatment of IS through the compound disease network.In the search of PPI network core,eight key targets for NAC treatment of IS were screened,including mitogen-activated protein kinase 1(MAPK1),B-cell lymphoma factor 2(Bcl-2),cysteinylaspartate specific protease 3(CASP3),etc.In addition,the key pathways of NAC treatment of IS are mainly concentrated in lipid and atherosclerosis,advanced glycation end products and receptor for advanced glycation end products(AGE-RAGE),tumor necrosis factor(TNF),interleukin17(IL-17),C-type lectin receptor,apoptosis,hypoxia-inducing factor-1(HIF-1),MAPK and other signaling pathways.Finally,the molecular docking results showed that the key active compounds(quercetin,kaempferol,luteolin and baicalein)had good binding force with the 8 key targets,which initially verified the results of network pharmacology.Conclusion NAC plays a role in the treatment of IS through multi-component,multi-target and multi-pathway.
