Molecular Mechanism of Bai-Bo Formula for Treatment of Vitiligo Based on Network Pharmacology and Molecular Docking.

Using network pharmacology and molecular docking, this study aims to evaluate the pharmacological mechanism of Bai-Bo Formula in the prevention and treatment of vitiligo. The chemical composition collection and anticipated targets for Bai-Bo Formula for vitiligo were compiled using TCMSP and BATMAN-TCM databases. GeneCards, OMIM, and DisGeNET databases were used to extract targets associated with vitiligo. The acquired drug-component targets were intersected with the illness targets to identify common genes, and a drug-component-target network was created using Cytoscape 3.7.2. Protein-protein interactions of Bai-Bo Formula were examined using String, and function enrichment analyses were performed on the primary targets using gene ontology and the Kyoto encyclopaedia of genes and genomes. Finally, molecular docking technologies were used to validate the combination of primary components and key targets. A study evaluated 167 active ingredients and 1425 prediction targets in 12 traditional Chinese remedies known as Bai-Bo Formula for treating vitiligo. 169 target genes were found to interact with the medicine. The protein-protein interaction network analysis identified 91 important proteins, with the top 5 targets being IL6, TNF, AKT1, IL1, and STAT. Bai-Bo Formula regulates immune inflammation, apoptosis, and autophagy via various pathways, including AGE-RAGE, PI3K-Akt, and TNF signaling. Molecular docking indicated that the primary components could attach effectively to the target protein. Based on network pharmacology and molecular docking, the mechanism of Bai-Bo Formula in the treatment of vitiligo via multicomponent, multitarget, and multichannel was investigated in depth.

Baicalein inhibits RLS3-induced ferroptosis in melanocytes.

We explored the effect of baicalein on the ferroptosis of melanocytes in vitiligo. Melanocytes were treated with single RSL3 or combined RSL3 with FAC for 24 h and the effect of baicalein on RSL3 toxicity was further evaluated. Cell viability was examined by CCK8 assay. The mitochondrial membrane potential and the level of iron ion were measured by assay kit. Intracellular and lipid ROS production was detected by flow cytometry. The results indicated that RSL3 induced cell death, mitochondrial dysfunction, ROS production, and iron ion accumulation in melanocytes, which was aggravated by the addition of FAC. The damage induced by RSL3 was significantly relieved by baicalein treatment. Besides, baicalein up-regulated GPX4 and reduced TFR1 level in melanocytes treated with RSL3+FAC. Baicalein protected melanocytes against ferroptosis through up-regulating GPX4. Ferroptosis might be pervasive in the occurrence and development of vitiligo, and could be proposed as the potential therapeutic target.

Molecular mechanism of vitiligo treatment by bailing tablet based on network pharmacology and molecular docking.

BACKGROUND: Bailing tablet, a patent Chinese medicine, is widely used to treat vitiligo in China. However, the underlying mechanism of this combined drug in treating vitiligo still remains unclear. OBJECTIVE: This study aimed to investigate the pharmacological mechanism of bailing tablet in the prevention and treatment of vitiligo using network pharmacology and molecular docking. METHODS: Genetic data of vitiligo and normal people were obtained by gene expression omnibus (GEO) DataSets database and GEO difference analysis was conducted to obtain differential genes. The main active compounds and corresponding target genes of bailing tablet were collected from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform. Combined with the results of GEO difference analysis, the main compounds and corresponding target genes of bailing tablet in the treatment of vitiligo were screened. The network diagram of "traditional Chinese medicine compound target" was constructed by Cytoscape software. According to the differential genes, the core targets with potential therapeutic effect were searched, the protein-protein interaction network was constructed, and the key proteins were explored by topological analysis (CytoNCA). Meanwhile, the core targets were analyzed by biological process (gene ontology) and signal pathway (Kyoto encyclopedia of genes and genomes) function enrichment. Molecular docking technology was adopted to verify the combination of main components and core targets. RESULTS: A total of 170 active compounds and 1777 prediction targets were screened from 11 traditional Chinese medicines of bailing tablet, of which 65 active components and 68 related prediction targets were closely related to vitiligo. A total of 320 key proteins were obtained by analyzing the topological characteristics of the protein-protein interaction network, mainly including neurotrophic receptor tyrosine kinase 1, tumor protein P53, cullin 3, estrogen receptor 1, etc. The main biological processes involve oxidative stress response, cell response to reactive oxygen species, and reactive oxygen species metabolism. Bailing tablet treats vitiligo mainly by regulating immune inflammation, apoptosis, and autophagy, which involves phosphatidylinositol-4,5-bisphosphate 3-kinase Akt signal pathway, mitogen-activated protein kinase signal pathway, Janus kinase signal transducer and activator of transcription signal pathway, melanin production, and helper T cell (Th)1, Th2, and Th17 differentiation pathway, etc. Molecular docking results showed that the main components could bind to the target protein well. CONCLUSIONS: Based on network pharmacology and molecular docking, the mechanism of bailing tablet in the treatment of vitiligo through multicomponent, multitarget, and multichannel was deeply explored.

Comparison of efficacy and safety of traditional Chinese patent medicine in the treatment of vitiligo in children or adults: A protocol for systematic review and network meta-analysis.

BACKGROUND: Vitiligo is a common depigmented skin disease in children or adults, which usually causes considerable psychological burden to life and work for the reason that it affects appearance. The conventional therapies, including external 308 nm excimer laser therapy along with oral administration of western medicine, are associated with distinct disadvantages. Notably, traditional Chinese patent medicine (TCPM) exerts a vital part in treating vitiligo. Currently, no existing research has examined the effectiveness and safety of different TCPMs in treating vitiligo among either child or adult patients. As a result, the present network meta-analysis was carried out for the systematic comparison of the effectiveness of different TCPMs in treating vitiligo. METHODS: The electronic databases, like PubMed, Web of Science, EMBASE, The Cochrane Library, Chinese Scientific Journals Database, China National Knowledge Infrastructure, Wanfang database and China BioMedical Literature, were searched systemically by 2 reviewers independently from inception to August 2020 to identify relevant randomized controlled trial (RCTs) according to our study inclusion criteria. In data extraction, risk of bias among those enrolled articles was also detected. Besides, the Bayesian network meta-analysis method was utilized to evaluate the evidence and data collected. This adopted the STATA and Win BUGS software for analysis. RESULTS: The present work assessed the safety and efficacy of different TCPMs in treating vitiligo among child or adult patients. CONCLUSION: Our findings can shed precious lights on applying TCPMs in clinic and help the clinicians to formulate the efficient diagnostic and therapeutic strategies. ETHICS AND DISSEMINATION: No ethical approval was needed in this study. INPLASY REGISTRATION NUMBER: INPLASY2020120050.