The First Affiliated Hospital of Zhejiang Chinese Medical University (Zhejiang Provincial Hospital of Chinese Medicine), Hangzhou, China.
Department of Integrated of Traditional Chinese and Western Medicine, Anqing 116 Hospital, Anqing, Anhui, China.
Medicine (Baltimore). 2024 Jul 19;103(29):e38785. doi: 10.1097/MD.0000000000038785.
Acne is a common and chronic skin condition characterized by high incidence, recurrent symptoms and difficult cure. Summarizing the clinical treatment experience, it was found that the powder for ascending and descending was effective in the treatment of acne. Our aim was to use network pharmacology and molecular docking to reveal the hub genes, biological functions, and signaling pathways of powder for ascending and descending against acne. First, the chemical components and target genes of PAD were sifted using the TCMSP and HERB database. The targets of acne were obtained simultaneously from the CTD, OMIM and GeneCards database. The obtained drug targets and disease targets were imported into the R language software to draw Venn diagrams. Then, the potential targets were imported into the String website to construct a protein interaction network diagram. And Cytoscape software was used for topological analysis to screen the core targets, and the core targets were analyzed by GO functional enrichment and KEGG pathway enrichment. Finally, molecular docking was used to verify the predictions of key genes' reliability. The core targets of the treatment of acne were TNF, GADPH, IL-6 and so on. The results of enrichment analysis showed that the treatment of acne with PAD may be related to TNF signaling pathway and AGE-RAGE signaling pathway. The molecular docking verification showed that the components were well bound to the core targets of acne, and the docking ability of stigmasterol and TNF (-12.73 kcal/mol) was particularly outstanding.
痤疮是一种常见的慢性皮肤病,其发病率高、症状反复发作、难以治愈。总结临床治疗经验,发现升清降浊散治疗痤疮有效。本研究旨在采用网络药理学和分子对接的方法,探讨升清降浊散治疗痤疮的关键基因、生物功能及信号通路。首先,利用 TCMSP 和 HERB 数据库筛选升清降浊散的化学成分和作用靶点,同时从 CTD、OMIM 和 GeneCards 数据库中获取痤疮的作用靶点,将获得的药物靶点和疾病靶点导入 R 语言软件绘制韦恩图。然后,将潜在靶点导入 String 网站构建蛋白互作网络,再利用 Cytoscape 软件进行拓扑分析,筛选出核心靶点,对核心靶点进行 GO 功能富集分析和 KEGG 通路富集分析。最后,采用分子对接验证关键基因预测的可靠性。治疗痤疮的核心靶点有 TNF、GADPH、IL-6 等。富集分析结果显示,升清降浊散治疗痤疮可能与 TNF 信号通路和 AGE-RAGE 信号通路有关。分子对接验证结果表明,各成分与痤疮的核心靶点结合良好,其中β-谷甾醇与 TNF 的结合能力(-12.73 kcal/mol)尤为突出。