Potential mechanism of Zhibitai Capsules in preventing and treating atherosclerosis based on network pharmacology and molecular docking technology

Zhao Fengting; Ma Jingyu; Meng Xubing; Lin Feng

doi:10.3969/j.issn.1674-4055.2024.06.07

Abstract：Objective To investigate the potential mechanism of Zhibitai Capsules in preventing and treating atherosclerosis(AS)based on network pharmacology and molecular docking technology.Methods The main active components were screened in Zhibitai Capsules and their targets were predicted through TCMSP database combined with literature.AS genes were retrieved from databases of Genecards.OMIM,Drugbank and DisGENET respectively for collecting intersection targets of active components in Zhibitai Capsules and AS to construct a component-intersection targets network planning.The intersection targets were given an enrich analysis by using databases of GO and KEGG,and finally verified by molecular docking technology.Results The main active components of 4 Chinese herbs in Zhibitai Capsules included quercetin,luteolin,ursolic acid,stigmasterol,isorhumin,epicatechin and kaempferol.The core intersection targets included interleukin-6(IL-6),mitogen-activated protein kinases 1(MAPK1),signal transducer and activator of transcription 3(STAT3),tumor necrosis factor(TNF)and nuclear factor NF-kappa-B p65 subunit(RELA).The results of enrichment analyses of GO and KEGG showed that potential therapeutic targets were correlated to activity of signal receptor activators,DNA-binding transcription factors and receptor ligands,and involved in advanced glycation end products(AGEs)and their receptors,phosphatidylinositol 3-kinase(PI3K)/protein kinase B(Akt),IL-17,TNF and other signaling pathways.The results of molecular docking showed that the binding activity was the best between luteolin and MAPK1.Conclusion Zhibitai Capsules plays a role in preventing and treating AS through regulating inflammation,lipid metabolism,immunity and other pathways based on multi-components and multi-targets.