基于网络药理学和分子对接技术研究消包丸治疗包虫病的作用机制OA北大核心CSTPCD

The study aimed to analyze the molecular mechanisms of Xiaobao Pill in treating echinococcosis using network pharmacology and molecular docking techniques.By searching the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and related literature,the main active components of Xiaobao Pill and their potential action targets were screened and predicted.Utilizing the Human Gene Database,disease-related gene databases,and drug target databases,relevant targets for echinococcosis were identified,and protein database queries were used to filter genes corresponding to these targets,selecting common action targets between Xiaobao Pill and echinococcosis.Using the STRING database,a PPI network was constructed to explore potential proteins,and key target proteins were selected through network topology parameter analysis.Molecular docking software was used to validate the binding activity of the most potent active components.Gene ontology analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were performed with online enrichment tools to further elucidate the biological processes and interactions in the'drug-active component-target-disease-signaling pathway'framework.The result showed that Xiaobao Pill's treatment of echinococcosis involves 46 targets,with key active components including quercetin,kaempferol,luteolin,isorhamnetin,and jaranol,which not only display high binding capacity but also exhibit significant biological activity.In terms of biological pathways,Xiaobao Pill primarily affects pathways including Th17 cell differentiation,toxoplasmosis,and cancer-related proteoglycans,with functions focused on regulating inflammatory cytokines,immune mechanisms,and direct actions on parasites.The study indicates that Xiaobao Pill has a direct antiparasitic effect on echinococcosis,can enhance immunity,and alleviate inflammatory responses to improve the overall health status of the body.