Analysis of Wumei Pills in treating chronic digestive system diseases with concept of "treating different diseases with same method" based on network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20220412.401
- Author:
Jin DING
1
;
Pan ZHENG
2
;
Ying-Ying SUN
1
;
Xiao-Ran WANG
1
;
Yan-Chen FENG
1
Author Information
1. Traditional Chinese Medicine School, Henan University of Chinese Medicine Zhengzhou 450046, China.
2. Prescription Discipline, Henan University of Chinese Medicine Zhengzhou 450046, China.
- Publication Type:Journal Article
- Keywords:
Wumei Pills;
diabetic enteropathy;
irritable bowel syndrome;
molecular docking;
network pharmacology;
treating diffe-rent diseases with same method;
ulcerative colitis
- MeSH:
Drugs, Chinese Herbal/therapeutic use*;
Humans;
Irritable Bowel Syndrome/drug therapy*;
Medicine, Chinese Traditional;
Molecular Docking Simulation;
Network Pharmacology
- From:
China Journal of Chinese Materia Medica
2022;47(15):4164-4176
- CountryChina
- Language:Chinese
-
Abstract:
The present study explored the material basis and underlying mechanism of Wumei Pills in the treatment of ulcerative colitis(UC), diabetic enteropathy(DE), and irritable bowel syndrome(IBS) based on network pharmacology and molecular docking.The active components and targets of Wumei Pills were obtained and screened out from TCMSP, and the target names were standardized by UniProt.The related targets of UC, DE, and IBS were searched from GeneCards, DisGeNET, DrugBank, and OMIM.The Venn dia-gram was constructed using the Venny 2.1 online analysis tool to obtain the common targets of the drug and diseases.The "drug-active ingredient-target" network was constructed by Cytoscape 3.7.2.Gene Ontology(GO) function enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analyses of common targets were carried out by DAVID.The main active components and targets were docked by AutoDock.The therapeutic mechanism of Wumei Pills was presumedly related to the regulation of the cancer pathway, TNF signaling pathway, HIF-1 signaling pathway, PI3 K-Akt signaling pathway, NF-κB signaling pathway, Toll-like receptor signaling pathway, JAK-STAT signaling pathway, etc.The results of molecular docking showed that the main active components could bind to the core targets, possessing stable conformation.The therapeutic effects of Wumei Pills against three diseases involved a variety of compounds such as flavonoids, sterols, and alkaloids in the prescriptions, which acted on key targets through multiple organs and participated in multiple signaling pathways such as apoptosis and immune inflammation, thereby exerting the therapeutic action on different diseases with the same method.This study explained the underlying mechanism of Wumei Pills in "treating different diseases with same method", and is expected to provide a theoretical basis for further understanding the mechanism of Wumei Pills and exploring the new clinical application.
