Prediction of the potential effects and mechanisms of Chrysanthemum indicum in the treatment of Pseudomonas aeruginosa pneumonia based on network pharmacology and molecular docking
ZHAO Yuwen
LI Pengyu
LI Li
TONG Wujun
LI Mingkai
Abstract：Objective To study the active components and molecular mechanism of Chrysanthemum indicum against Pseudomonas aeruginosa pneumonia(PAP).Methods The chemical constituents of Chrysanthemum indicum were obtained from TCMSP database and the corresponding targets were predicted.The active components and core targets of Chrysanthemum indicum against PAP were analyzed and screened out by protein-protein interaction(PPI)network.GO and KEGG pathway enrichment analyses were conducted on the core targets.The multi-dimensional correlation network of"herbs-compounds-core targets-pathways"was constructed by using Cytoscape software,and the key active components and targets were analyzed and obtained.AutoDock software was used to conduct molecular docking between some compounds and targets to evaluate the affinity between them.Results Twelve active components of Chrysanthemum indicum were obtained,and 289 targets were predicted,which were intersected with 873 disease targets.Chrysanthemum indicum could treat PAP through 64 targets,and 22 core targets were obtained,mainly including proto-oncogenes SRC,MAPK1,AKT1,PIK3R1,EGFR,etc.The results of molecular docking showed that there was a direct regulatory effect between key targets and compounds.Conclusion Through network pharmacology and molecular docking,the mechanism and potential targets of Chrysanthemum indicum in the treatment of PAP are predicted,which provides a theoretical prospect for the clinical application of Chrysanthemum indicum in the treatment of PAP.
Keywords：chrysanthemumPseudomonas aeruginosapneumonianetwork pharmacologymolecular docking simulationprotein interaction mapssignal transductionChinese herbal medicine
Publication Date：2025-11-30
Online Publishing Date：2026-08-26(First online date of this platform, not the publication date of the document)
Pages：7( 1503-1509 )