Mechanism analysis of Xiaochaihu decoction with Danggui Shaoyao powder in the treatment of Hashimoto's thyroiditis based on network pharmacology and molecular docking techniques
Objective To investigate the mechanism of Xiaochaihu decoction combined with Danggui Shaoyao powder in the treatment of Hashimoto's thyroiditis(HT)based on network pharmacology and molecular docking techniques.Methods Traditional Chinese medicine(TCM)system pharmacology and TCMSP database were used to screen the main active components of 13 TCM compounds and their action targets.OMIM and GeneCards databases were used to screen the HT targets.Cytoscape 3.9.1 was used to construct the TCM-component-target network diagram and protein-protein interaction network diagram,and screen the key targets.The Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway analysis were conducted for the intersection targets through the DAVID database.Molecular docking was carried out by AutoDock Vina,preliminary screening and further verification of the core chemical components of the compound.Results A total of 190 active ingredients were obtained,including quercetin,luteolin and kaempferol.There were 292 component targets,2 132 disease targets and 171 intersection targets.The main key targets were tumor protein p53,mitogen-activated protein kinase(MAPK)3 and protein kinase B.This compound may play a therapeutic role in HT by regulating MAPK,interleukin-17,tumor necrosis factor and other signaling pathways.Conclusion The core components of Xiaochaihu decoction and Danggui Shaoyao powder may be quercetin,luteolin,kaolin and baicalin,which may play a therapeutic role in HT by regulating tumor-related signaling pathways.
NETL
NSTL
万方数据
