| 摘要: |
| 目的:挖掘中药治疗便秘型肠易激综合征(IBS-C)的用药规律,并分析核心药物治疗IBS-C 的分子作用机制。方法:检索
中国知网、万方、维普数据库等,时限自建库起至2025 年6 月,筛选中药复方干预IBS-C 的临床处方,系统分析中药复方的药物
频数、关联规则及聚类特征;利用中药药理学数据库与分析平台(TCMSP)、人类孟德尔遗传(OMIM)、治疗靶点(TTD)、人类基
因(GeneCards)等专业数据库,获取核心药物组合活性成分与IBS-C 疾病相关的作用靶点;运用STRING、MetaScape、CytoScape、
AutoDock 等分析工具,进行蛋白相互作用(PPI)分析、基因本体论(GO)和京都基因与基因组百科全书(KEGG)富集分析及分子
对接验证。结果:共纳入131 首处方,涉及165 味中药,其中高频中药包括白芍、白术、柴胡等。关联规则结果显示,柴胡、白术、
白芍间具有较强的关联性,聚类分析可将高频中药分为3 类。网络药理学研究结果显示,柴胡-白芍-白术核心药物组合治疗
IBS-C 的主要活性成分为槲皮素、山柰酚、豆甾醇,核心靶点包括肿瘤蛋白p53( TP53)、蛋白激酶B1( AKT1)、Jun 原癌基因
(JUN)等,主要涉及糖尿病并发症中的晚期糖基化终末产物受体(AGE-RAGE)、白细胞介素17(IL-17)、肿瘤坏死因子(TNF)等
信号通路。分子对接结果显示,核心活性成分与核心靶点结合较稳定。结论:中药治疗IBS-C 以疏肝理气、健脾益气、润肠通便
为基本治则,其核心药物组合可能通过调节肠道动力、减轻炎症反应、降低内脏敏感性等方式发挥治疗作用。 |
| 关键词: 中药 便秘型肠易激综合征 数据挖掘 网络药理学 分子对接 |
| DOI：doi:10.13407/j.cnki.jpp.1672-108X.2025.10.006 |
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| 基金项目: |
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| Medication Patterns and Mechanism of Traditional Chinese Medicine in the Treatment of Irritable BowelSyndrome with Constipation Based on Data Mining and Network Pharmacology |
| Hu Xiangguang, Xiao Zhifeng, Ji Zhihui, Hu Gaosheng |
| ((Children’s Hospital of Fudan University at Xiamen, Fujian Xiamen
361006, China)) |
| Abstract: |
| Objective: To mine the medication patterns of traditional Chinese medicine in the treatment of irritable bowel syndrome with
constipation (IBS-C), and further explore the molecular mechanism of core drugs in the treatment of IBS-C. Methods: By retrieving
CNKI, Wanfang and VIP databases from database establishment to Jun. 2025, relevant clinical prescriptions for traditional Chinese
medicine compound intervention in IBS-C were screened. The drug frequency, association rules, and clustering characteristics of
traditional Chinese medicine compound were systematically analyzed. Professional databases such as traditional Chinese medicine
systems pharmacology database and analysis platform (TCMSP), online Mendelian inheritance in man (OMIM), therapeutic target
database (TTD), and GeneCards were used to obtain the active components of core drug combinations and the action targets related to
IBS-C. Analysis tools such as STRING, MetaScape, CytoScape, and AutoDock were used to conduct protein-protein interaction (PPI)
analysis, gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis, and molecular
docking validation. Results: A total of 131 prescriptions were enrolled, including 165 kinds of traditional Chinese medicine. The highfrequency
medicine included Paeoniae radix alba, Atractylodes macrocephala koidz, and Radix bupleuri. Association rule analysis showed
that there was a strong correlation among Radix bupleuri, Atractylodes macrocephala koidz and Paeoniae radix alba. Cluster analysis could
classify the frequently used traditional Chinese medicines into three categories. Network pharmacology studies showed that the main
active components of core drug combination of Radix bupleuri-Atractylodes macrocephala koidz-Paeoniae radix alba for the treatment of
IBS-C were quercetin, kaempferol and stigmasterol, and the core targets included tumor protein p53 (TP53), protein kinase B1
(AKT1), Jun proto-oncogene (JUN), mainly involving advanced glycation end products-advanced glycation end products receptor
(AGE-RAGE) in diabetic complications, interleukin-17 (IL-17), and tumor necrosis factor (TNF) signaling pathways. Results of
molecular docking showed that the binding of core active components and core targets was stable. Conclusion: The treatment of IBS-C
by traditional Chinese medicine mainly follows the principles of soothing the liver and regulating Qi, invigorating the spleen and
replenishing Qi, and moistening the intestines to relieve constipation. The core medicine combination may exert its therapeutic effects
through pathways such as regulating intestinal motility, reducing inflammatory responses, and decreasing visceral sensitivity. |
| Key words: traditional Chinese medicine irritable bowel syndrome with constipation data mining network pharmacology molecular docking |
