Clinical, Cosmetic and Investigational Dermatology (Apr 2023)
Exploring the Potential Molecular Mechanism of Sijunzi Decoction in the Treatment of Non-Segmental Vitiligo Based on Network Pharmacology and Molecular Docking
Abstract
Ziwei Du,1 Hepeng Wang,1 Yang Gao,1 Shumao Zheng,1 Xiaoli Kou,1 Guoqiang Sun,1 Jinxian Song,2 Jingfei Dong,3 Genhui Wang4 1Department of Dermatology, Hebei Academy of Traditional Chinese Medicine, Shijiazhuang, Hebei, 050031, People’s Republic of China; 2Department of Dermatology, Quyang County People’s Hospital, Baoding, People’s Republic of China; 3Department of Clinical Laboratory, Hebei Provincial Hospital of Traditional Chinese Medicine, Shijiazhuang, People’s Republic of China; 4Department of Dermatology, Hebei Provincial Hospital of Traditional Chinese Medicine, Shijiazhuang, People’s Republic of ChinaCorrespondence: Yang Gao, Department of Dermatology, Hebei Academy of Traditional Chinese Medicine, No. 209 Jianhua South Street, Shijiazhuang, Hebei, 050031, People’s Republic of China, Tel +86-15833969687, Email [email protected]: Non-segmental vitiligo is a common decolorized skin disease. The purpose of this study was to reveal the active components of Sijunzi decoction (SJZD) and the target genes for the treatment of non-segmental vitiligo.Methods: Based on TCMSP and GEO databases, effective components and targets of SJZD in the treatment of non-segmental vitiligo were revealed by network pharmacology. GO and KEGG were used to analyze the biological functions of SJZD targets. The Cytoscape-cytoHubba plugin was used to identify hub target genes. SsGSEA method was used to analyze the infiltration level of immune cells in non-segmental vitiligo. Molecular docking was performed to predict the interaction between active compounds and hub target genes. Finally, real-time PCR detection was also performed.Results: It was found that 104 active compounds may be effective ingredients in the treatment of non-segmental vitiligo. These 104 compounds acted on 42 differentially expressed target genes. KEGG analysis showed that target genes were significantly enriched in immune-related pathways such as MAPK and TNF signaling pathways. A total of 6 hub target genes (AKT1, CASP3, PPARG, SIRT1, TNF and TP53) were identified using the Cytoscape-cytoHubba plugin. Molecular docking showed that active compounds quercetin, kaempferol, formononetin and naringenin had good binding to hub target genes. We also found that Type 2 T helper cells, CD56bright natural killer cell and CD56dim natural killer cell infiltration levels were abnormal in non-segmental vitiligo and correlated with AKT1.Conclusion: The results of this study indicate that quercetin, kaempferol, formononetin and naringenin in SJZD may play an important role in the treatment of non-segmental vitiligo by acting on AKT1, CASP3, PPARG, SIRT1, TNF and TP53 to regulate immune cell infiltration and multiple signaling pathways.Keywords: Sijunzi decoction, non-segmental vitiligo, network pharmacology, molecular docking, immune, gene
