Department of Stomatology, Changzhi Second People's Hospital Affiliated to Changzhi Medical College, Changzhi, PR China.
Department of Stomatology, Shanxi Provincial People's Hospital, Taiyuan, PR China.
Medicine (Baltimore). 2024 Aug 16;103(33):e39352. doi: 10.1097/MD.0000000000039352.
This study explored the mechanism of Huangbai liniment (HB) for the treatment of oral lichen planus (OLP) through network pharmacology and molecular docking techniques. The study identified HB' active ingredients, therapeutic targets for OLP, and associated signaling pathways. The chemical composition of HB was screened using the HERB database. The disease targets of OLP were obtained through the GeneCards and OMIM databases. A protein-protein interactions network was constructed with the String platform. Topological analysis was performed using Cytoscape software to identify core targets. Gene ontology and Kyoto encyclopedia of genes and genomes pathway enrichment analysis were performed using the Hiplot database, and the active ingredients and core targets were verified by molecular docking. Date analysis showed that the active composition of HB in the treatment of OLP were quercetin, wogonin, kaempferol, and luteolin. This survey identified 10 potential therapeutic targets, including TNF, CXCL8, IL-6, IL1B, PIK3R1, ESR1, JUN, AKT1, PIK3CA, and CTNNB1. Molecular docking revealed stable interactions between OLP' key targets and HB. These key targets were predominantly involved in the PI3K-Akt signaling pathway, AGE-RAGE signaling pathway, TNF signaling pathway, and HIF-1 signaling pathway. HB plays a crucial role in the treatment of OLP, acting on multiple targets and pathways, particularly the PI3K-Akt signaling pathway. It regulated biological processes like the proliferation of epithelial cells and lymphocytes and mediates the expression of transcription factors, cytokines, and chemokines. Therefore, this study provides a theoretical basis for the clinical trial and application of HB in the therapy of OLP.
本研究采用网络药理学和分子对接技术探讨黄白洗剂治疗口腔扁平苔藓（OLP）的作用机制。该研究鉴定了黄白洗剂的活性成分、OLP 的治疗靶点和相关信号通路。使用 HERB 数据库筛选黄白洗剂的化学成分。通过 GeneCards 和 OMIM 数据库获取 OLP 的疾病靶点。使用 String 平台构建蛋白质-蛋白质相互作用网络。使用 Cytoscape 软件进行拓扑分析，以识别核心靶点。使用 Hiplot 数据库进行基因本体和京都基因与基因组百科全书通路富集分析，并通过分子对接验证活性成分和核心靶点。数据分析表明，黄白洗剂治疗 OLP 的活性成分有槲皮素、白杨素、山奈酚和木樨草素。本研究共鉴定出 10 个潜在治疗靶点，包括 TNF、CXCL8、IL-6、IL1B、PIK3R1、ESR1、JUN、AKT1、PIK3CA 和 CTNNB1。分子对接显示 OLP 关键靶点与黄白洗剂之间存在稳定的相互作用。这些关键靶点主要参与 PI3K-Akt 信号通路、AGE-RAGE 信号通路、TNF 信号通路和 HIF-1 信号通路。黄白洗剂在治疗 OLP 中发挥重要作用，作用于多个靶点和通路，特别是 PI3K-Akt 信号通路。它调节上皮细胞和淋巴细胞的增殖等生物学过程，并介导转录因子、细胞因子和趋化因子的表达。因此，本研究为黄白洗剂在 OLP 治疗中的临床试验和应用提供了理论依据。
