The potential mechanism of Yiqi Jiedu Tongluo Decoction in the treatment of liver cirrhosis based on network pharmacology and molecular docking technology

Yongqiang Xiong; Jiangwei LI; Ren LI; Na Huang; Ni Gong; Shu Zhang

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The potential mechanism of Yiqi Jiedu Tongluo Decoction in the treatment of liver cirrhosis based on network pharmacology and molecular docking technology

VernacularTitle:基于网络药理学与分子对接技术探讨益气解毒通络方治疗肝硬化的潜在机制
Author: Yongqiang XIONG ¹ ; Jiangwei LI ¹ ; Ren LI ¹ ; Na HUANG ² ; Ni GONG ¹ ; Shu ZHANG ¹
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1. Department of General Surgery, The Second Affiliated Hospital of Xi’an Jiaotong University, Xi’an 710004, China
2. Laboratory of Scientific Research Center, The Second Affiliated Hospital of Xi’an Jiaotong University, Xi’an 710004, China
Publication Type:Journal Article
Keywords: network pharmacology; Yiqi Jiedu Tongluo prescription; liver cirrhosis
From: Journal of Xi'an Jiaotong University(Medical Sciences) 2022;43(6):926-934
CountryChina
Language:Chinese
Abstract: 【Objective】 To investigate the targets and related pathways of Yiqi Jiedu Tongluo Formula (YQJDTLF) in the treatment of liver cirrhosis based on network pharmacology and molecular docking technology, so as to predict its potential mechanism. 【Methods】 Based on the TCMSP database, the effective active ingredients and action targets of YQJDTLF were extracted, and the therapeutic targets of liver cirrhosis were obtained through Drugbank, OMIM, TTD and DisGeNET; the common targets were screened. We constructed a visualization regulatory network diagram of "drug active components-disease targets" with Cytoscape and a protein interaction network diagram (PPI) with the STRING database. Then we screened the core proteins of PPIs with Cytoscape. Finally, we made Gene Ontology (GO) function enrichment analysis and KEGG pathway enrichment analysis of the core targets by using Metascape. Finally the molecular docking was completed. 【Results】 A total of 93 active ingredients and 135 common targets were obtained. The main active compounds included quercetin, baicalein, and stigmasterol. KEGG pathway enrichment analysis revealed 135 pathways involved in cancer signaling pathways (pathways in cancer) and other pathways. Through molecular docking, it was found that the binding activity between key traditional Chinese medicine components and the key targets was good. 【Conclusion】 YQJDTLF has the characteristics of being multi-component, multi-target and multi-pathway, and can play a role in the treatment of liver cirrhosis by regulating related pathways and targets.