Molecular mechanism of Gancao Xiexin Decoction for treating Behcet's disease:Based on network pharmacology and molecular docking
Objective To study the molecular mechanism of Gancao Xiexin Decoction for treating Behcet's disease ( BD) based on network pharmacology and molecular docking, thus providing reference for future research. Methods The effective components and functional targets of seven herbs in Gancao Xiexin Decoction were extracted from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform ( TCMSP). The target genes were collected by using Uniprot database. The disease targets obtained in GeneCard, DrugBank, PharmGkb, TTD and OMIM database were intersected with drug action targets. A drug - component - disease - target network was performed using Cytoscape 3. 8. 0 software. Protein - protein interaction (PPI) networks were constructed and analyzed using the STRING database and Cytoscape 3. 8. 0 software, respectively. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses on the intersection genes were performed by the R ×64 4. 0. 5 software. AutoDock Tools molecularly docked the main active ingredients to the drug core target. Results A total of 236 chemical components and 3480 action targets, including 986 disease targets and 63 drug - disease intersection targets of Gancao Xiexin Decoction for BD were screened out in this study. The seven core components including quercetin, beta - sitosterol, kaempferol, stigmasterol, baicalein, fumarine, wogonin, and the seven key targets including prostaglandin - endoperoxide synthase 2 (PTGS2), interleukin 18 (IL -18), CC - chemokine ligand 2 (CCL2), matrix metalloproteinase 9 (MMP -9), signal transducer and activator of transcription 3 (STAT3), vascular endothelial growth factor A (VEGFA), C - X - C motif chemokine ligand 8 (CXCL -8) were revealsed. A total of 1804 GO and 106 KEGG pathways were obtained, including advanced glycation end products ( AGE) / receptor for advanced glycation end products ( RAGE) pathway, IL -17 pathway, hypoxia - inducible factor -1 (HIF -1) and other related signaling pathways. The Molecular docking analysis suggested a strong correlation between the core components and the key targets. Conclusion Gancao Xiexin Decoction has a certain therapeutic effect on BD through the role of multi - components, multi - targets, and multi - pathways.
Behcet's diseaseGancao Xiexin DecoctionMolecular mechanism of the pharmacological action(Chinese medicine)Network pharmacologyMolecular docking
万方数据
维普
