Exploring the mechanism of Fu-Zi Decoction in treatment of chronic heart failure based on network pharmacology and molecular docking technology

doi:10.5246/jcps.2021.09.058

Abstract

Abstract:

In the present study, we aimed to explore the mechanism of Fu-Zi Decoction in the treatment of chronic heart failure (CHF) using network pharmacology. SymMap database was used to analyze the modern medical (MM) symptoms of various medicines. The chemical components of Fu-Zi Decoction were obtained through TCMSP, ETCM database, and previous results. The targets of Fu-Zi Decoction were obtained through STITCH, SwissTargetPrediction, TargetNET database, and literature. The targets for the treatment of CHF were obtained from the DisGeNET, GEO, and DrugBank databases, and the common parts of the Fu-Zi Decoction targets were screened out to construct the PPI network. The PPI network was decomposed modularly, its functions were analyzed, and the KEGG pathway enrichment analysis was performed. The key target was verified by SwissDock for molecular docking. A total of 205 chemical components of Fu-Zi Decoction, 551 drug targets, and 521 disease targets were collected. Functional enrichment analysis revealed that it was mainly involved in biological processes, such as negative regulation of cell death, oxidative stress, and G protein-coupled receptor regulation. KEGG enrichment findings mainly involved fluid shear stress and atherosclerosis, IL-17 signaling pathway, and so on. The results of molecular docking showed that benzoylaconitine, aconitine, mesaconitine, paeoniflorin, and atractylodes III all had a strong affinity with the core target CXCL8, suggesting that Fu-Zi Decoction could negatively regulate cell apoptosis and oxidative stress through fluid shear stress and atherosclerosis, IL-17 signaling pathway, and so on. Collectively, our data showed that Fu-Zi Decoction had a good effect on the treatment of CHF.

Key words: Fu-Zi Decoction, Chronic heart failure, Network pharmacology, Molecular docking

Supporting:

Taixiang Gao, Feng Zhao, Liyao Shi, Rui Wang. Exploring the mechanism of Fu-Zi Decoction in treatment of chronic heart failure based on network pharmacology and molecular docking technology[J]. Journal of Chinese Pharmaceutical Sciences, 2021, 30(9): 705-715.

Figures/Tables 6

References 25

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