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. 2021 Aug 14:2021:5575621.
doi: 10.1155/2021/5575621. eCollection 2021.

Exploring the Pharmacological Mechanisms of Tripterygium wilfordii Hook F against Cardiovascular Disease Using Network Pharmacology and Molecular Docking

Affiliations

Exploring the Pharmacological Mechanisms of Tripterygium wilfordii Hook F against Cardiovascular Disease Using Network Pharmacology and Molecular Docking

Bingwu Huang et al. Biomed Res Int. .

Abstract

Background: Tripterygium wilfordii Hook F (TwHF) has been used in traditional Chinese medicine (TCM) for treating cardiovascular disease (CVD). However, the underlying pharmacological mechanisms of the effects of TwHF on CVD remain elusive. This study revealed the pharmacological mechanisms of TwHF acting on CVD based on a pharmacology approach.

Materials and methods: The active compounds were selected from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database according to the absorption, distribution, metabolism, and excretion (ADME). The potential targets of TwHF were obtained from the SwissTargetPrediction database. The CVD-related therapeutic targets were collected from the DrugBank, the GeneCards database, and the OMIM database. Protein-protein interaction (PPI) network was generated by the STITCH database. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed by R package. The network of drug-targets-diseases-pathways was constructed by the Cytoscape software.

Results: The 41 effective ingredients of TwHF and the 178 common targets of TwHF and CVD-related were collected. Furthermore, AKT1, amyloid precursor protein (APP), mitogen-activated protein kinase 1 (MAPK), phosphatidylinositol 3-kinase catalytic subunit alpha (PIK3CA), and cellular tumor antigen p53 (TP53) were identified as the core targets involved in the mechanism of TwHF on CVD. Top ten GO (biological processes, cellular components, and molecular functions) and KEGG pathways were screened with a P value ≤0.01. Finally, we constructed the network of TwHF-targets-CVD-GO-KEGG.

Conclusions: These findings demonstrate that the main active compound of TwHF, the core targets, and pathways maybe provide new insights into the development of a natural therapy for the prevention and treatment of CVD.

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Conflict of interest statement

The authors report no relationships that could be construed as a conflict of interest.

Figures

Figure 1
Figure 1
Network pharmacology for deciphering pharmacological mechanisms of Tripterygium wilfordii Hook F acting on cardiovascular disease.
Figure 2
Figure 2
GO map of putative target genes. (a) Biological process categories. (b) Cellular component categories. (c) Molecular function categories.
Figure 3
Figure 3
KEGG pathway analysis of putative target genes.
Figure 4
Figure 4
TwHF-targets-CVD-GO-KEGG network.
Figure 5
Figure 5
Molecular models of the binding of TwHF to the predicted targets (a) AKT1, (b) APP, (c) MAPK1, (d) PIK3CA, and (e) TP53 shown as 3D diagrams.

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