Study on the Mechanism of Action of Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoction in the Treatment of Atopic Dermatitis Based on Network Pharmacology and Molecular Docking
Objective:To study on the mechanism of action of Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoction on atopic dermatitis(AD)based on network pharmacology and molecular docking.Methods:The targets and active components of Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoction,such as Chenpi(Pericarpium Citri Reticulatae),Zhiqiao(Fructus Aurantii),Sangye(Folium Mori),Juhua(Flos Chrysanthemi),Jinyinhua(Flos Lonicerae Japonicae),Huangqin(Radix Scutellariae),Tufuling(Rhizoma Smilacis Glabrae),Baixianpi(Cortex Dictamni),Baizhu(Rhizoma Atractylodis Macrocephalae)and Gancao(Radix Glycyrrhizae),were obtained by TCM Network Pharmacology Analysis System(TCMNPAS)v1.0 and literature retriev-al.AD disease targets were obtained by GeneCards database,DrugBank database and literature retrieval,and the intersection targets of Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoction and AD were obtained by jvenn platform.The intersection tar-gets were uploaded to STRING database to construct protein-protein interaction(PPI)network.Topological analysis was performed by Cytoscape 3.8.0 software to screen core targets.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)en-richment analysis were performed by Metascape database.The"drug-active component-target"network and"drug-target-pathway"net-work were constructed by Cytoscape 3.8.0 software.Finally,molecular docking was verified by TCMNPAS database.Results:There were 243 active ingredients and 344 targets in Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoction.There were 145 AD disease targets and 15 intersection targets between AD and PPI.Four core targets were screened out by topological analysis of PPI net-work,namely interleukin-6(IL-6),tumor necrosis factor(TNF),C-X-C motif chemokine ligand 8(CXCL8)and mitogen-activated protein kinase 1(MAPK1).GO function analysis mainly involved response to virus,bacteria,lipopolysaccharide,cytokine receptor bind-ing and transcription factor binding.There were 55 KEGG pathways,mainly involved TNF signaling pathway,FoxO signaling pathway,HIF-1 signaling pathway,etc.Molecular docking showed that core components and core targets had good affinity and binding ability.Conclusion:Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoction may treat AD by acting on IL-6,TNF,CXCL8,MAPK1 and other targets through trimethoxyflavone,tangeretin,pregnanolone and other active components,and regulating TNF,FoxO,HIF-1 and other signaling pathways.
Spleen-Activating and Dampness-Resolving and Lung-Clearing Decoctionatopic dermatitis(AD)network pharmacologymolecular dockingmechanism of action
万方数据
维普
