| Mechanisms of purslane in the treatment of sepsis based on network pharmacology and molecular docking |
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| En KeyWords: Portulacae Herba,network pharmacology,Molecular docking,sepsis,molecular mechanism |
| Fund Project:国家自然科学基金资助项目(82360903)；贵州省科学技术研究专项课题(黔科合基础-ZK [2024] 一般396) |
| Author:YUAN Tingting |
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| En Abstract: |
| Objective Exploring potential therapeutic targets and mechanisms of action for Purslane in treating sepsis. Methods By mining the TCMSP database to identify potential bioactive compounds in purslane and their corresponding functional targets, we screened purslane-related targets across databases: GeneCards, OMIM, and DisGeNET. Using R software, we screened drugs and key disease targets. The STRING v12.0 database and Cytoscape v3.10.3 software were employed to construct a Drug-Active Ingredient-Gene-Disease interaction network diagram. Using the clusterProfiler package in R, we performed Gene Ontology (GO) functional and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses on intersection purslane-sepsis targets to explore potential mechanisms of purslane in treating sepsis. Organ localization of key targets was determined using the eFP Browser database. Finally, node scores were calculated using the CytoHubba extension to identify core targets, followed by molecular docking between key components and core targets via AutoDockTools_1.5.7 software. Result Purslane contains 10 active components and 191 potential target molecules, with 1,942 targets associated with sepsis. Among these, IL6, ALB, AKT1, IL1B, MMP9, and CCL2 may represent core therapeutic targets for purslane in treating sepsis. KEGG enrichment analysis results indicate that the relevant targets identified are significantly enriched in inflammation-related pathways such as the TNF, IL-17, and NF-κB signaling pathway. Conclusion Purslane exerts a synergistic therapeutic effect on sepsis through its multi-component, multi-target, and multi-pathway mechanisms, providing a theoretical basis for subsequent trials and clinical translation studies. |
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