基于网络药理学探讨黄柏对治疗痤疮的作用机制

Exploring the Mechanism of Huangbai in Treating Acne Based on Network

摘要: 目的：通过网络药理学来探讨黄柏治疗痤疮的作用机制。方法：利用TCMSP数据库以生物利用度(Oral Bioavailability, OB) ≥ 30%、类药指数(Drug-Likeness, DL) ≥ 0.18筛选出黄柏的活性成分及相对应的靶点，通过GeneCards数据库收集痤疮相关的靶点基因，采用Cytoscape软件和STRING数据库进行“药物–活性成分–靶点”网络和蛋白互作网络的构建与分析；利用Metascape在线分析工具对交集靶点进行GO和KEGG的富集分析，并借助微生信作图网站展现分析结果。结果：黄柏靶点192个，痤疮靶点1345，交集靶点50个，其中潜在核心有效成分黄连素、黄铜碱、基哈达内酯A等化合物。GO富集分析结果显示，黄柏治疗痤疮涉及对细菌来源分子的反应、炎症反应的调节、对肽的反应，白细胞–细胞粘附的调控、白细胞分化等生物进程；富集分析的结果显示可能涉及癌症的发展途径、AGE-RAGE信号通路在糖尿病并发症中的作用、炎症性肠病等信号通路。结论：本研究展现了黄柏活性成分治疗痤疮的潜在靶点及通路，为以后研究黄柏治疗痤疮的方向提供了科学基础。

Abstract: Objective: To explore the mechanism of Huangbai in treating acne through network pharmacology. Method: The active ingredients and corresponding targets of Phellodendron amurense were screened using the TCMSP database with an oral bioavailability (OB) ≥ 30% and a drug like index (DL) ≥ 0.18. Acne related target genes were collected through the GeneCards database, and the “drug active ingredient target” network and protein interaction network were constructed and analyzed using Cytoscape software and STRING database; utilize the Metascape online analysis tool to perform GO and KEGG enrichment analysis on intersecting targets, and display the analysis results on a bioinformatics mapping website. As a result, there were 192 targets for Huangbai, 1345 targets for acne, and 50 intersecting targets, among which potential core active ingredients such as berberine, berberine, and ketorolactone A were identified. The GO enrichment analysis results showed that the treatment of acne with Huangbai involves biological processes such as response to bacterial derived molecules, regulation of inflammatory response, response to peptides, regulation of leukocyte cell adhesion, and leukocyte differentiation; the results of enrichment analysis may involve the development of cancer, the role of AGE-RAGE signaling pathway in the complications of diabetes, inflammatory bowel disease and other signaling pathways. Conclusion: This study demonstrates the potential targets and pathways of Huangbai active ingredients in treating acne, providing a scientific basis for future research on Huangbai's treatment of acne.