Screening Biomarkers of Astragalus Membranaceus for Hypertensive Ventricular Remodeling Based on Network Pharmacology and Molecular Docking

Hualei DAI; Chengcheng HU; Guimin ZHANG; Siming TAO; Jiankun CHEN

doi:10.12259/j.issn.2095-610X.S20230819

Volume 44 Issue 8

Aug. 2023

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Article Navigation > Journal of Kunming Medical University > 2023 > 44(8): 27-36

Hualei DAI, Chengcheng HU, Guimin ZHANG, Siming TAO, Jiankun CHEN. Screening Biomarkers of Astragalus Membranaceus for Hypertensive Ventricular Remodeling Based on Network Pharmacology and Molecular Docking[J]. Journal of Kunming Medical University, 2023, 44(8): 27-36. doi: 10.12259/j.issn.2095-610X.S20230819

Citation:

Hualei DAI, Chengcheng HU, Guimin ZHANG, Siming TAO, Jiankun CHEN. Screening Biomarkers of Astragalus Membranaceus for Hypertensive Ventricular Remodeling Based on Network Pharmacology and Molecular Docking[J]. Journal of Kunming Medical University, 2023, 44(8): 27-36. doi: 10.12259/j.issn.2095-610X.S20230819

Citation:

Hualei DAI, Chengcheng HU, Guimin ZHANG, Siming TAO, Jiankun CHEN. Screening Biomarkers of Astragalus Membranaceus for Hypertensive Ventricular Remodeling Based on Network Pharmacology and Molecular Docking[J]. Journal of Kunming Medical University, 2023, 44(8): 27-36. doi: 10.12259/j.issn.2095-610X.S20230819

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Screening Biomarkers of Astragalus Membranaceus for Hypertensive Ventricular Remodeling Based on Network Pharmacology and Molecular Docking

doi: 10.12259/j.issn.2095-610X.S20230819

Cardiovascular Disease Center，Affiliated Hospital of Yunnan University， Kunming Yunnan 650021，China

Received Date: 2023-05-08
Available Online: 2023-09-05
Publish Date: 2023-08-30

Abstract

Abstract

Objective To investigate the mechanisms of Astragalus membranaceus in the treatment of hypertensive ventricular remodeling （VR） based on the principles of network pharmacology and molecular docking. Method The effective components of Astragalus membranaceus, drug targets and disease targets of hypertensive ventricular remodeling were obtained from the online database. The mRNA data were downloaded to screen the key modules and genes related to hypertensive ventricular remodeling, and then the disease targets of hypertensive ventricular remodeling were predicted, followed by GO functional/KEGG pathway enrichment analysis. PPI network were constructed and visualized. LASSO and Random Forest were used to construct the diagnostic model of hypertensive ventricular remodeling. After analyzing the biomarkers, the pharmacological regulatory network of traditional Chinese medicine was drawn and visualized for biomarkers and active components. Finally, the component structures were obtained through the database for molecular docking. Results 87 active ingredients of Astragalus membranaceus, 390 drug targets, 3281 hypertensive ventricular remodeling disease targets and 2103 differentially expressed key module genes were obtained, and 24 key targets were obtained by taking the intersection. There were 288, 15 and 29 targets in terms of key target genes and biological processes, molecular functions and cell components, respectively. A total of 54 related signaling pathways were obtained, and the interaction network relationships of 21 proteins were obtained. Four biomarkers （MAPK1, IL2, CSNK2B, SELE） were obtained, and the molecular docking results showed the existence of binding hydrogen bonds between the proteins and small molecules of all four markers. Conclusion Screening to obtain markers of ventricular remodeling in hypertension by Astragalus membranaceus validated the effect of Astragalus membranaceus in the treatment of hypertensive ventricular remodeling and may become a molecular biomarker for the diagnosis and treatment of hypertensive ventricular remodeling.
- Network pharmacology,
- Astragalus membranaceus,
- Hypertension,
- ventricular remodeling,
- Biomarkers

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