[1] HUANG Li TAN Hui SUN Yujie LI Hui DONG Changwu,.Material Basis and Action mechanism of Huainiuxi inTreating Hypertension Based on NetworkPharmacology and Molecular Docking [J]. Modern Traditional Chinese Medicine, 2023, (03): 97-105. [doi: 10.13424/j.cnki.mtcm.2023.03.019]
Material Basis and Action mechanism of Huainiuxi in
Treating Hypertension Based on Network
Pharmacology and Molecular Docking
- Article number:
- 1672-0571(2023)03-0097-09
- Keywords:
- Key words:Huainiuxi; Hypertension; Network pharmacology; Molecular docking; Mechanism of action
- ZTFLH:
- R282.6
- Code:
- A
- Abstract:
- Abstract：Objective To explore the mechanism of action of Huainiuxi in treating hypertension based on network pharmacology methods.Methods The effective components and corresponding target proteins of Huainiuxi were screened through the systems pharmacology analysis platform of traditional Chinese medicine (TCMSP),the targets of hypertension were obtained through Genecards and OMIM databases,the intersection targets of Huainiuxihypertension were obtained using Venn online software,and the “compound-target-disease” network diagram was constructed by using Cytoscape 3.7.2 software.Using String database to draw protein interaction (PPI) networks,using David database and cluster Profiler package in R language 3.6.3 to conduct GO functional enrichment and KEGG pathway analysis on key targets,and verifies the docking of the main active ingredients of Huainiuxi with key targets through molecular docking technology.Results A total of 16 potential active ingredients and 183 effective targets of Huainiuxi were screened.76 common targets of drug diseases were obtained through Venn plot,and PPI network found that IL6,AKT1,VEGFA,CCL2,MMP9,NOS3,PTGS2,etc.may be the key targets for the treatment of hypertension in Huainiuxi.GO analysis included a total of 396 enrichment results,including 307 biological processes,54 molecular functions,and 35 cell compositions.KEGG pathway analysis found 60 entries.Molecular docking screening yields compounds with binding potential to the target.Conclusion Huainiuxi exerts a hypotensive effect through “multiple components-multiple-targets-multiple pathways”,laying the foundation for in-depth research on its material basis and mechanism of action,and also providing relevant basis for later experimental verification and clinical application.
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Memo
基金项目：国家自然科学基金项目（82174277）；安徽省教育厅自然科学重大项目（KJ2020ZD41)