Exploring the molecular mechanism of fengliao changweikang in the treatment of irritable bowel syndrome based on network pharmacology and molecular docking technology
10.3969/j.issn.1673-9701.2025.20.013
- VernacularTitle:基于网络药理学及分子对接技术探究枫蓼肠胃康治疗肠易激综合征的分子机制
- Author:
Xinxin CAI
1
;
Suru HONG
;
Xiayang WU
Author Information
1. 厦门市儿童医院药学部,福建厦门 361006
- Publication Type:Journal Article
- Keywords:
Network pharmacology;
Irritable bowel syndrome;
Molecular docking;
Target prediction
- From:
China Modern Doctor
2025;63(20):51-56
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the target and mechanism of Fengliao Changweikang in treating irritable bowel syndrome(IBS)based on network pharmacology and molecular docking technology.Methods The effective components of Fengliao Changweikang were screened by data mining,and the drug-target network was constructed to identify the key targets and their pathways related to IBS.The molecular docking verification of the main active ingredients and core target proteins was carried out,and the binding energy was evaluated and the results were visualized.Results Fengliao Changweikang contained 24 potential active ingredients,134 active ingredient targets,and 2353 disease-related targets.After intersecting these,70 potential target points were identified,involving 898 biological processes,96 molecular functions,and 66 cellular components.Kyoto Encyclopedia of Genes and Genomes enrichment analysis suggested that its mechanism of action in treating IBS may involve regulating key signaling pathways such as cancer pathways,PI3K/Akt signaling pathways,and phospholipase D pathways through interactions with core targets.Molecular docking analysis indicated that the core compounds in Fengliao Changweikang exhibit good binding activity with core receptor proteins.Conclusion Fengliao Changweikang works through multiple signaling pathways and multiple target mechanisms to treat IBS.
