| 张明莲,伊文利,宗鲁新.中药桃黄方治疗精神分裂症的作用机制[J].济宁医学院学报,2024,47(4):275-280 |
| 中药桃黄方治疗精神分裂症的作用机制 |
| The mechanism of traditional Chinese medicine taohuang formula in treating schizophrenia |
| 投稿时间：2024-04-18 |
| DOI：10.3969/j.issn.1000-9760.2024.04.002 |
| 中文关键词: 网络药理学;桃仁-大黄-赤芍;精神分裂症;分子对接 |
| 英文关键词: Network pharmacology;Taoren-dahuang-chishao;Schizophrenia;Molecular docking |
| 基金项目: |
| 作者 | 单位 | E-mail | | 张明莲 | 山东省戴庄医院精神二科, 济宁 272051 | | | 伊文利 | 山东省戴庄医院精神二科, 济宁 272051 | | | 宗鲁新 | 山东省戴庄医院精神二科, 济宁 272051 | 1091208333@qq.com |
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| 中文摘要: |
| 目的 利用网络药理学及分子对接技术探讨桃黄方(桃仁-大黄-赤芍)有效成分治疗精神分裂症(SCZ)的作用机制。方法 通过公共数据库筛选得到桃黄方主要成分以及SCZ相关的作用靶标,取药物与疾病之间的交集基因以构建蛋白相互作用网络图(PPI),并根据相互关系的强弱筛选出核心靶标,构建药物-有效成分-药物疾病共有靶点的相互作用网络。对交集靶点进行基因GO功能分析和KEGG通路富集分析。利用AutoDock软件对主要的活性成分与核心靶点进行分子对接分析。结果 桃黄方通过44个有效成分作用于60个SCZ相关靶点。主要通过β-谷甾醇、黄芩素、豆甾醇、芦荟大黄素、鞣花酸、常春藤素等化合物,作用于TNF、VEGFA、CASP3、AKT1、TP53、PTGS2等多个靶标,通过参与调节P13K-AKT信号通路、MAPK信号传导途径等干预SCZ。分子对接结果显示关键活性成分与核心靶点对接良好,其中豆甾醇与PTGS2具有最优结合能,为-10.1kcal/mol。结论 桃黄方通过多靶点、多通路对SCZ的治疗发挥了良好作用,为桃黄方治疗SCZ的药理机制提供了理论依据。 |
| 英文摘要: |
| Objective To explore the mechanism of action of the effective ingredients of Taohuang Formula (Taoren-Dahuang-Chishao) in the treatment of schizophrenia (SCZ) using network pharmacology and molecular docking technology. Methods The main components of Taohuang Formula and the targets related to SCZ were screened through public databases.The intersection genes between drugs and diseases were selected to construct a protein-protein interaction network (PPI),and core targets were selected based on the strength of the interaction.A drug-effective ingredient-common targets for drug-disease was constructed. Perform gene GO functional analysis and KEGG pathway enrichment analysis on intersection targets.Perform molecular docking analysis on the main active ingredients and core targets using AutoDock software. Result Taohuang Formula acts on 60 SCZ related targets through 44 effective ingredients.Mainly through Compounds such as sitosterol,baicalin,stigmasterol,aloe emodin,ellagic acid,ivy,etc.act on multiple targets such as TNF,VEGFA,CASP3,AKT1,TP53,PTGS2,and intervene in SCZ by participating in regulating the P13K-AKT signaling pathway and MAPK signaling pathway.The molecular docking results showed good docking between the key active ingredients and the core target,among which stigmasterol had the optimal binding energy with PTGS2,which was -10.1kcal/mol. Conclusion Taohuang Formula has played a good role in the treatment of SCZ through multiple targets and pathways,providing a theoretical basis for the pharmacological mechanism of Taohuang Formula in treating schizophrenia. |
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