Based on Bioinformatics and Network Pharmacology Analyses, The Multi-System Mechanism by which Ge Gen Qin Lian Decoction Intervenes in Chemotherapy-induced Diarrhea through the Regulation of Key Genes and Signaling Pathways is Elucidated

Based on the well-documented efficacy of the classical formula GQD, traditionally used to “relieve exterior symptoms and clear internal heat, promoting diuresis,” this study investigates its mechanism in treating chemotherapy-induced diarrhea (CID) using network pharmacology and molecular docking. Chemical constituents of Pueraria lobata, Scutellaria baicalensis, Coptis chinensis, and Glycyrrhiza uralensis were retrieved from databases, and potential targets were predicted to construct a component–target database. CID-related targets were collected from Gene Cards, and common targets were analyzed through PPI networks using STRING. Core targets were further assessed via Bio GPS expression profiles. GEO datasets were analyzed to obtain differentially expressed genes, followed by GO and KEGG enrichment analyses to clarify biological processes and signaling pathways, while GSEA evaluated expression trends. Finally, molecular docking validated compound–target interactions. Network pharmacology identified 83 active ingredients and 37 potential targets, with epiberberine, coptisine, quercetin, beta-sitosterol, and formononetin as key components. GO and KEGG analyses revealed that GQD mainly modulates inflammatory responses and cancer-related pathways. The organ–target network indicated multi-component, multi-target, and multi-pathway effects. Docking results showed hydrogen bonding, hydrophobic, and other non-covalent interactions as crucial for compound–target binding. This study systematically elucidates the active components, potential targets, and molecular mechanisms of GQD against CID, providing a research strategy for understanding Chinese herbal formulas and supporting further development of GQD.

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Publication Details

Journal
Oriental Journal Of Chemistry
Published
2025-10-31
DOI
https://doi.org/10.13005/ojc/410504
Primary Topic
Flavonoids in Medical Research
Type
article
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article

Based on Bioinformatics and Network Pharmacology Analyses, The Multi-System Mechanism by which Ge Gen Qin Lian Decoction Intervenes in Chemotherapy-induced Diarrhea through the Regulation of Key Genes and Signaling Pathways is Elucidated

Yingying Xue, Zhao Xin, Qu Jingyu
Oriental Journal Of Chemistry
Flavonoids in Medical Research
article

Based on Bioinformatics and Network Pharmacology Analyses, The Multi-System Mechanism by which Ge Gen Qin Lian Decoction Intervenes in Chemotherapy-induced Diarrhea through the Regulation of Key Genes and Signaling Pathways is Elucidated

Yingying Xue, Zhao Xin, Qu Jingyu
article en

Abstract

Based on the well-documented efficacy of the classical formula GQD, traditionally used to “relieve exterior symptoms and clear internal heat, promoting diuresis,” this study investigates its mechanism in treating chemotherapy-induced diarrhea (CID) using network pharmacology and molecular docking. Chemical constituents of Pueraria lobata, Scutellaria baicalensis, Coptis chinensis, and Glycyrrhiza uralensis were retrieved from databases, and potential targets were predicted to construct a component–target database. CID-related targets were collected from Gene Cards, and common targets were analyzed through PPI networks using STRING. Core targets were further assessed via Bio GPS expression profiles. GEO datasets were analyzed to obtain differentially expressed genes, followed by GO and KEGG enrichment analyses to clarify biological processes and signaling pathways, while GSEA evaluated expression trends. Finally, molecular docking validated compound–target interactions. Network pharmacology identified 83 active ingredients and 37 potential targets, with epiberberine, coptisine, quercetin, beta-sitosterol, and formononetin as key components. GO and KEGG analyses revealed that GQD mainly modulates inflammatory responses and cancer-related pathways. The organ–target network indicated multi-component, multi-target, and multi-pathway effects. Docking results showed hydrogen bonding, hydrophobic, and other non-covalent interactions as crucial for compound–target binding. This study systematically elucidates the active components, potential targets, and molecular mechanisms of GQD against CID, providing a research strategy for understanding Chinese herbal formulas and supporting further development of GQD.

Oriental Journal Of ChemistryVol. 41(5)
Shanxi Datong University (CN), Shaanxi University of Chinese Medicine (CN)
Openalex Percentile: Top 64%
Flavonoids in Medical Research
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