Exploring the mechanism of Xiaochaihu Decoction combined with Gualou Xiebai in the intervention of gastroesophageal reflux disease with chest tightness based on network pharmacology

Corresponding author: wendaiwei, 317783673@qq.com

DOI: 10.12201/bmr.202511.00084

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  Abstract: Objective To explore the potential mechanism of Xiaochaihu Decoction combined with Gualou and Xiebai in intervening in Gastroesophageal Reflux Disease (GERD) with chest tightness using network pharmacology. Methods Active ingredients were selected from TCMSP, HERB, and BATMAN-TCM based on oral bioavailability (OB ≥ 30%) and drug-likeness (DL ≥ 0.18). Targets were predicted from these databases and standardized via UniProt. GERD and chest tightness-related disease targets were collected from GeneCards, DrugBank, MalaCards, and OpenTarget. The intersection of drug and disease targets was analyzed using R, and a drug-component-target network was built with Cytoscape. Protein-protein interaction (PPI) networks were constructed with STRING, and core targets were screened. Gene Ontology (GO) and KEGG enrichment analyses identified key biological processes and signaling pathways. A drug-disease-target-pathway network was created, and molecular docking was performed with AutoDock4.2 and visualized in PyMOL3.5. Results Key active compounds included quercetin, kaempferol, baicalin, catechin, and luteolin. Core targets were enriched in MAPK3, AKT1, NF-κB1, p53, and IL-6. Biological processes involved responses to xenobiotics, oxygen, and lipopolysaccharides. Significant pathways included lipids and atherosclerosis, the PI3K-Akt signaling pathway, the AGE-RAGE signaling pathway in diabetic complications. Molecular docking confirmed stable, low-energy binding between core components and target proteins. Conclusion This compound formula may synergistically alleviate GERD with chest tightness by regulating inflammation-immune imbalance, glucose and lipid metabolism disorders, and reducing visceral hypersensitivity.

  Key words: Xiaochaihu Decoction; Gualou; Xiebai; Gastroesophageal reflux disease

  Submit time: 26 November 2025

  Copyright: The copyright holder for this preprint is the author/funder, who has granted biomedRxiv a license to display the preprint in perpetuity.
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