In:
Current Pharmaceutical Design, Bentham Science Publishers Ltd., Vol. 29, No. 27 ( 2023-08), p. 2161-2176
Abstract:
In recent years, pulmonary fibrosis (PF) has increased in incidence and prevalence.
Qingzaojiufei decoction (QD) is a herbal formula that is used for the treatment of PF. Objective: In this research, network pharmacology and molecular docking methods were used to explore the
major chemical components and potential mechanisms of QD in the treatment of PF. Methods: The principal components and corresponding protein targets of QD were used to screen on Traditional
Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), Traditional Chinese Medicine Integrated Database (TCMID) and high-throughput experiment-and reference-guided database
(HERB), Cytoscape 3.7.2 was used to construct the drug-component-target network. PF targets were collected by GeneCards and Online Mendelian Inheritance in Man (OMIM) databases. The protein-protein interaction
(PPI) network was constructed by importing compound-disease intersection targets into the Search Tool for the Retrieval of Interacting Genes/Proteins (STRING) database and visualized by Cytoscape3.7.2. We further performed
Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis on the intersecting targets. In the last, we validated the core targets and active compounds by molecular
docking. Results: The key compounds of quercetin, (-)-epigallocatechin-3-gallate, and kaempferol of QD were obtained.
The key targets of AKT1, TNF, and IL6 of QD were obtained. The molecular docking results show that quercetin, (-)-epigallocatechin-3-gallate and kaempferol work well with AKT1, TNF and IL6. Conclusion: This research shows the multiple active components and molecular mechanism of QD in the
treatment of PF and offers resources and suggestions for future studies.
Type of Medium:
Online Resource
ISSN:
1381-6128
DOI:
10.2174/1381612829666230911105931
Language:
English
Publisher:
Bentham Science Publishers Ltd.
Publication Date:
2023
SSG:
15,3
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