Exploration of action mechanisms of Gang Huo Qing wen granules in treatment of influenza based on network pharmacology and molecular docking technique
10.11816/cn.ni.2025-250241
- VernacularTitle:基于网络药理学和分子对接技术探讨岗藿清瘟颗粒治疗流行性感冒的作用机制
- Author:
Wenyu WU
1
;
Wanning LAN
;
Xin JIAO
;
Peng WU
;
Kai WANG
;
Shaofeng ZHAN
Author Information
1. 广州中医药大学第一临床医学院,广东 广州 510405;广州中医药大学第一附属医院呼吸与危重症医学科,广东 广州 510405;广东省中医临床研究院,广东 广州 510405
- Publication Type:Journal Article
- Keywords:
Ganghuo Qingwen granules;
Influenza;
Network pharmacology;
Molecular docking;
Mechanism
- From:
Chinese Journal of Nosocomiology
2025;35(17):2597-2602
- CountryChina
- Language:Chinese
-
Abstract:
OBJECTIVE T o explore the action mechanisms of Ganghuo Qingwen granules(GHQWG)in treatment of influenza based on network pharmacology and molecular docking technique.METHODS The TCMSP database was logged in to search for active compounds,targets of GHQWG and targets of influenza so as to screen out the intersected targets between HGQWG and influenza and establish a drug-ingredient-target network.The poten-tial mechanisms were analyzed by means of protein-protein interaction analysis,Gene Ontology(GO)function an-notation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment,and the activity of binding the key targets with ingredients was validated by molecular docking.RESULTS GHQWG contained 90 types of po-tential active ingredients,312 active ingredient targets,1996 influenza targets and 134 intersection targets.The core ingredients included quercetin,kaempferol and luteolin;the key targets involved V-Rel reticuloendotheliosis viral oncogene homolog A(RELA),tumor protein 53(TP53),mitogen-activated protein kinase 3(MAPK3),tumor necrosis factor(TNF),serine/threonine kinase proteins 1(AKT1)and mitogen-activated protein kinase 1(MAPK1).The function enrichment showed that GHQWG could regulate the processes of gene expression,in-flammatory reaction and apoptosis.The result of KEGG indicated that GHQWG played therapeutic effect on influ-enza mainly through C type agglutinin receptor,TNF and in terleukin-17(IL-17)signaling pathway.The molecu-lar docking analysis showed that RELA,TP53,M APK3,TNF,AKT1 and M APK1 had strong activities of bind-ing with quercetin,kaempferol,luteolin,β-sitosterol,wogonin,stigmasterol,caffeic acid and isorhamnetin.CONCLUSION GHQWG may regulate the key targets of signaling pathways of C type agglutinin receptor,TNF and IL-17 through multiple ingredients-multiple targes-multiple pathway mechanisms so as to play the therapeutic effect on influenza.
