Exploring the Anti-Inflammatory Mechanism of Chrysanthemum Based on Network Pharmacology and Molecular Docking
Based on network pharmacology and molecular docking verification methods,the anti-inflammatory mechanism of chrysanthemum was discussed.Firstly,17 active components and 109 corresponding targets of chrysanthemum were screened from TCMSP database,and then 2492 inflammatory targets were screened from GeneCards,NCBI,OMIM and DisGeNET databases.And the active component target and inflammatory target of chrysanthemum were intersected to obtain the potential anti-inflammatory target of chrysanthemum.Then,the core targets of chrysanthemum anti-inflammatory were obtained by constructing a potential target PPI network and performing topological analysis.After GO and KEGG enrichment analysis of core targets by DAVID database,the network of"active ingredient-core target-pathway"was constructed by Cytoscape3.9.1 software and topological analysis was carried out to obtain the key components and key targets of chrysanthemum anti-inflammatory.Finally,AutoDock Vina was used to verify the molecular docking of the key components and key targets of chrysanthemum anti-inflammatory.According to the docking binding energy,the heat map was drawn by Origin software,and the binding energy was analyzed.The results showed that 56 potential anti-inflammatory targets of chrysanthemum were screened based on network pharmacology.Then 21 core targets of chrysanthemum anti-inflammatory were obtained by PPI network topology analysis.The core targets were subjected to enrichment analysis and"active ingredient-core target-pathway"network topology analysis,and finally 9 key components and 9 key targets of chrysanthemum anti-inflammatory were obtained.The results of molecular docking showed that the key active components and key targets of chrysanthemum anti-inflammatory were well combined and the conformation was stable.
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