The mechanism of action of Fuzi-Lizhong pill in treatment of ulcerative colitis based on network pharmacology-molecular docking
10.16438/j.0513-4870.2019-0936
- VernacularTitle:基于网络药理-分子对接研究附子理中丸治疗溃疡性结肠炎的作用机制
- Author:
You HUANG
1
;
Sha-sha YANG
1
;
Xia LIN
1
;
Sheng-jia ZHAO
1
;
Xin-yi WEI
1
;
Chao-mei FU
1
;
Zhen ZHANG
1
Author Information
1. State Key Laboratory of Characteristic Chinese Medicine Resources in Southwest China, School of Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China
- Publication Type:Research Article
- Keywords:
network pharmacology;
molecular docking simulation;
Fuzi-Lizhong pill;
ulcerative colitis;
potential target;
pathway
- From:
Acta Pharmaceutica Sinica
2020;55(8):1812-1822
- CountryChina
- Language:Chinese
-
Abstract:
Network pharmacology and bioinformatics technology were used to predict the mechanism of action of Fuzi-Lizhong pill (FLP) in the treatment of ulcerative colitis (UC). 26 components (23 prototype compounds and 3 metabolites) in the blood of FLP were selected as the research objects. PharmMapper database, SwissTargetPrediction platform, GeneCards and OMIM database were used to screen and predict potential targets of FLP in blood. The protein-protein interaction network model was constructed by using String database and Cytoscape software. DAVID platform, KEGG and Reactome databases were used for GO analysis and pathway analysis of potential targets. Network of drug ingredients-targets-pathways was constructed by Cytoscape software. AutoDock vina software was used to dock the molecules of the absorbed ingredients of FLP in blood with the key targets. 82 potential targets of FLP for treatment of UC were obtained. Potential targets mainly involve biological processes such as response to organic substance, regulation of apoptosis, regulation of programmed cell death, which played roles in the treatment of UC by adjusting pathways in cancer, Colorectal cancer, Vascular endothelial growth factor signaling pathway, Mitogen-activated protein kinase signaling pathway, arachidonic acid metabolism and the other signal pathways. From the perspective of network pharmacology, this study predicted the mechanisms of action of FLP in treating UC, indicating that FLP in treating UC had the characteristics of multiple ingredients, multiple targets and multiple pathways, which laid a foundation for further research.
