Analysis of the molecular mechanism of Indigo Naturalis in the treatment of ulcerative colitis based on GEO Chip and network pharmacology
10.3760/cma.j.cn115398-20220207-00018
- VernacularTitle:基于GEO芯片和网络药理学分析青黛治疗溃疡性结肠炎的作用机制
- Author:
Zhongyu LI
1
;
Yandong WEN
;
Ting CHEN
;
Yang WANG
;
Qing XU
Author Information
1. 中国中医科学院西苑医院脾胃病科，北京 100091
- Keywords:
Indigo Naturalis;
Colitis, ulcerative;
Network pharmacology;
Molecular docking simulation
- From:
International Journal of Traditional Chinese Medicine
2023;45(5):604-611
- CountryChina
- Language:Chinese
-
Abstract:
Objective:The mechanism of Indigo Naturalis in the treatment of ulcerative colitis (UC) was predicted by GEO chip combined with network pharmacology, and preliminarily verified by molecular docking. Methods:The main active components and targets of Indigo Naturalis were obtained by searching TCMSP, SymMap database, SwissTargetPrediction and Pharmmapper. The UC disease targets were obtained from DrugBank database, OMIM database, TTD database, Disgenet database and GEO gene chips. Venn diagram was used to show drug-disease common targets. The protein-protein interaction (PPI) network of intersection targets was analyzed by String platform, and Cytoscape 3.8.2 software was used to construct the PPI network of components and disease targets. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis were performed on the core targets. AutoDock Vina 1.2.1 was used for molecular docking, and the results were visualized by Discovery studio Visualizer. Results:A total of 10 active components and 184 compound targets of IN-UC, of which 42 were core targets, were enriched and analyzed by GO and KEGG. The therapeutic effect of Indigo Naturalis on UC may involve activation of various process, such as reactive oxygen species metabolism, heme binding, protein phosphatase binding, secretory granule exocytosis, cytoplasmic vesicles, cell focal adhesion and cell substrate connection, and regulates PI3K/Akt signal pathway, human cytomegalovirus infection signal pathway, EB virus infection signal pathway HF1 signaling pathway and insulin resistance signaling pathway to treat UC. Conlusion:Indigo Naturalis has the characteristics of multi-component, multi target and multi pathway in the treatment of ulcerative colitis. Through PTGS2, CAT and other core targets, it can regulate PI3K/Akt signal pathway, human giant cell signal pathway, HIF-1 signal pathway to play a therapeutic role.
