Abstract:
Objective To analyze the molecular targets and related mechanisms of dermatitis, eczema, and psoriasis by Dictamni Cortex through network pharmacology and molecular docking based on "the same treatment for different diseases".
Methods The main active ingredients of Dictamni Cortex were searched and screened by using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) database, and the targets of active ingredients were predicted by the Swiss Target Prediction(STP) database. The relevant targets for the treatment of dermatitis, eczema, and psoriasis were obtained by TTD, OMIM, DrugBank, GeneCards, and DisGeNET database, and Venny software was used to obtain the same targets for dermatitis, eczema, and psoriasis, as well as targets that interacted with the active ingredients of Dictamni Cortex. Cytoscape was used to draw the network map, and the STRING database was used to construct the protein interaction network map of the same target genes of Dictamni Cortex in the treatment of dermatitis, eczema, and psoriasis. Metascape database was used for Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, and R language was used for visualization. Molecular docking and visualization were performed through Discovery Studio 2019 Client, AutoDock Tools, and PyMOL.
Results A total of 15 active ingredients from Dictamni Cortex were obtained, and there were 64 intersection targets for the same targets of Dictamni Cortex and dermatitis, eczema, and psoriasis. The core targets of the active ingredients of Dictamni Cortex in the treatment of dermatitis, eczema, and psoriasis were tumor necrosis factor (TNF), toll-like receptor 4(TLR4), vascular endothelial growth factor A(VEGFA), signal transduction and transcription activator 3(STAT3), signal transduction and transcription activator 1(STAT1), etc. The core pathways included advanced glycosylation end-product-receptor (AGE-RAGE), interleukin-17 (IL-17), Janus kinase-signal transducer and activator of transcription (JAK-STAT) pathway, etc.
Conclusion Dictamni Cortex may act on multiple targets such as TNF, TLR4 and VEGFA through multiple pathways including IL-17, JAK-STAT and AGE-RAGE to exert anti-inflammatory and anti-itch effects in dermatitis, eczema and psoriasis.