Study on the mechanism of Yiqi Yangyin decoction in the treatment of Postoperative thyroid Cancer based on network pharmacology and molecular docking technology
10.3969/j.issn.1009-9905.2023.12.001
- VernacularTitle:基于网络药理学和分子对接技术探讨益气养阴汤治疗甲状腺癌术后的作用机制
- Author:
Yan-Ke WU
1
;
Shuo QI
;
Wen-Qian GENG
;
Xin-Yi LI
;
Jiao-Jiao YUAN
;
Xiao-Heng CHEN
;
Jian-Wei SHANG
;
Zhi-Guo DING
Author Information
1. 北京中医药大学东直门医院 甲状腺病科(北京 100700)
- Keywords:
Thyroid Cancer;
Yiqi Yangyin decoction;
Network pharmacology;
Mechanism
- From:
Chinese Journal of Current Advances in General Surgery
2023;26(12):925-932
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To explore the mechanism of Yiqi Yangyin decoction in the treatment of thyroid cancer by means of network pharmacology and molecular docking technique.Meth-ods:the chemical constituents of 10 kinds of Yiqi Yangyin decoction were searched by HERB database,the active components were screened by PubChem and SwissADNE,and the action targets of active components were predicted by Swisstargetprediction.The disease targets after operation of thyroid cancer were obtained by searching the databases of GeneCards,OMIM,Dis-GeNET and DrugBank.The intersection target of drug and disease was obtained by Venny2.1.0 platform,the intersection target protein interaction network was constructed by String database,and the core target protein was screened by Cytoscape3.9.1,the drug-active ingredient-target network map was constructed by Cytoscape3.9.1,and the key active components were obtained;the enrichment analysis of GO and KEGG was carried out using Metascape database;and the molecular docking verification of key targets and key components was carried out.Results:157active components of Yiqi Yangyin decoction were obtained,and 507targets of active compo-nents were predicted,1817 targets of thyroid cancer-related diseases and 154targets of drug-disease intersection were obtained.The key target genes of SRC,HSP90AA1,PIK3R1,PIK3CA and AKT1 were obtained by PPI analysis.Quercetin,kaempferol and luteolin were the key active components.Molecular docking showed that the key targets and key active components had good affinity.KEGG enrichment analysis showed that cancer pathway,PI3K-Akt pathway and HIF-1 pathway were the key pathways of drug action.Conclusion:Yiqi Yangyin decoction can play a therapeutic role in anti-inflammation,anti-tumor and improving tissue microenvironment with multi-components,multi-targets and multi-pathways.
