基于网络药理学分析温中化浊方治疗慢性萎缩性胃炎作用机制
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R285

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广东省中医药局科研项目(20251300);广州市科学技术局项目(2060206);广州市第五批优秀中医临床人才研修项目


Analysis on the Mechanism of Wenzhong Huazhuo Prescription in Treating Chronic Atrophic Gastritis Based on Network Pharmacology
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    摘要:

    目的:基于网络药理学及分子对接技术分析温中化浊方治疗慢性萎缩性胃炎(CAG) 的作用机制。 方法:采用中药系统药理学技术与分析平台(TCMSP) 筛选温中化浊方成分的作用靶点,整合Gene Cards、 Drug Bank、Disegenet、OMIM数据库预测和筛选CAG的作用靶点,筛选温中化浊方治疗CAG的活性成分。通 过整合String数据库资源构建蛋白质相互作用(PPI) 网络,并利用Cytoscape软件进行可视化,识别网络中的 核心靶点,构建“中药-活性成分-作用靶点”网络,筛选核心活性成分。采用metascape数据库对温中化浊方 作用靶点进行基因本体(GO) 功能及京都基因与基因组百科全书(KEGG) 通路富集分析。并对核心成分及关 键靶点进行分子对接验证。结果:共筛选获得温中化浊方潜在活性成分134个,涉及274个作用靶点,与疾病 靶点有关的活性成分85个。获得核心成分为槲皮素、山柰酚、木犀草素、β-谷甾醇、常春藤皂苷元、柚皮苷、 川陈皮素。关键靶点为丝/苏氨酸激酶1(AKT1)、肿瘤坏死因子(TNF)、转录因子AP-1亚基(JUN)、白细胞 介素(IL) -6、肿瘤蛋白p53 (TP53)、IL-1β、前列腺素内过氧化物合酶2 (PTGS2)、表皮生长因子受 体(EGFR)。GO分析结果识别出生物学过程1 838条,细胞组分88个,分子功能143个。KEGG分析主要涉及 癌症、晚期糖基化终产物及其受体(AGE-RAGE)、TNF、磷脂酰肌醇3激酶/蛋白激酶B(PI3K/AKT)、IL-17、细 胞凋亡、丝裂原活化蛋白激酶(MAPK) 等信号通路。主要活性成分与核心靶点分子对接结合能均<0 kcal/mol。 结论:网络药理学分析结果表明温中化浊方通过槲皮素、山柰酚、木犀草素、β-谷甾醇、常春藤皂苷元及柚 皮苷川陈皮素等活性成分,作用于AKT1、TNF、JUN、TP53、IL-6、IL-1β、EGFR、PTGS2 等靶点,调节 PI3K/AKT、TNF-α、IL-17、癌症、脂质代谢与动脉粥样硬化、蛋白聚糖代谢、AGE-RAGE等信号通路,发挥 抗炎、保护胃黏膜、抑癌等作用治疗CAG。

    Abstract:

    Abstract: Objective: To analyze the potential mechanism of the Wenzhong Huazhuo Prescription in treating chronic atrophic gastritis (CAG) based on network pharmacology and molecular docking technology. Methods: Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) was used to screen for the targets of the ingredients in Wenzhong Huazhuo Prescription. The GeneCards,DrugBank,DisGeNET and OMIM databases were integrated to predict and screen for CAG-related targets, and the active ingredients for CAG in the prescription. Protein-protein interaction networks were constructed by integrating the resources in STRING database and visualized with Cytoscape to identify the core targets in networks. A "herbs-active ingredient-target" network was established to screen for core active ingredients. Gene Ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis of the targets in the prescription were performed using the Metascape database. Molecular docking of core ingredients with their targets was validated. Results : A total of 134 potential active ingredients were screened, involving 274 targets. Among these, 85 active ingredients were related to disease targets. The core ingredients of Wenzhong Huazhuo Prescription were identified as quercetin, kaempferol, luteolin, β-sitosterol, hederagenin, naringenin and nobiletin. Key targets included AKT serine/threonine-protein kinase 1 (AKT1),tumor necrosis factor (TNF),transcription factor AP-1 subunit (JUN),interleukin-6 (IL-6),tumor protein p53 (TP53), interleukin-1β (IL-1β), prostaglandin-endoperoxide synthase 2 (PTGS2), and epidermal growth factor receptor (EGFR). GO enrichment returned 1 838 biological processes, 88 cellular components and 143 molecular functions. KEGG analysis revealed significant involvement of the cancer,AGE-RAGE,TNF,PI3KAKT, IL-17,apoptosis,and MAPK signaling pathways. The binding energies between the main active ingredients and the core targets were all less than O kcal/mol. Conclusion:Wenzhong Huazhuo Prescription exerts therapeutic effects against CAG mainly through quercetin, kaempferol, luteolin, β-sitosterol, hederagenin, and naringenin, and nobiletion acting on AKT1,TNF,JUN,TP53,IL-6,IL-1β,EGFR,and PTGS2 thereby modulating PI3K-AKT, TNF-α,IL-17,cancer,lipid-metabolism/atherosclerosis,proteoglycan-metabolism,and AGE-RAGE pathways to suppress inflammation,protect the gastric mucosa,and inhibit carcinogenesis.

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梁凯晴,安云,练柳萱.基于网络药理学分析温中化浊方治疗慢性萎缩性胃炎作用机制[J].新中医,2026,58(3):152-159

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  • 在线发布日期: 2026-02-08
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