International Research in Chinese Medicine
International Research in Chinese Medicine. 2026; 6: (2) ; 10.12208/j.ircm.20260024 .
总浏览量: 8
1江西中医药大学附属医院 江西南昌
2江西水利电力大学校医院 江西南昌
*通讯作者： 肖航,单位：江西中医药大学附属医院 江西南昌; ；
目的 运用网络药理学及分子对接技术探讨抗痨解毒合剂改善非小细胞肺癌化疗相关性肠炎的作用机制。方法 通过TCMSP 2.3平台获取抗痨解毒合剂药物有效成分，未检索到的药物通过HERB 2.0获取其成分并在SwissTargetPrediction 2019数据库预测靶点，再通过UniProt平台校正并筛选出“homo sapiens”的药物靶点。通过Disgenet、GeneCards、OMIM、PharmGkb、Therapeutic Target Database数据库获取疾病相关靶点，再通过Cytoscape 3.10.4构建抗痨解毒合剂的药物活性成分-靶点网络，筛选出核心靶点进行GO及KEGG富集分析，最后进行分子对接。结果 抗痨解毒合剂有效成分共262个，成分活性靶点1121个，相关疾病靶点166个，活性成分与疾病交集靶点54个。抗痨解毒合剂主要活性成分为槲皮素、木犀草素、芦丁、表儿茶素，其主要作用于BCL2、IL-1β、IL-10、EGFR、TNF、IL-6、PTGS2等核心靶点，靶点多富集于PI3K-Akt、MicroRNAs、EGFR、HIF-1、p53等通路。分子对接显示活性成分与核心靶点结合力良好。结论 抗痨解毒合剂可通过多靶点、多通路调控肿瘤细胞凋亡治疗非小细胞肺癌，同时还可以抑制炎症、促进组织修复及维持肠道环境稳态等实现改善非小细胞肺癌化疗相关性肠炎。
Objective Using network pharmacology and molecular docking technology to explore the mechanism of Kanglao Jiedu admixture in improving chemotherapy-associated intestinal mucositis in non-small cell lung cancer. Methods Obtain the active ingredients of Kanglao Jiedu admixture through the TCMSP 2.3 platform; for drugs not retrieved, obtain their components via HERB 2.0 and predict targets in the SwissTargetPrediction 2019 database, then correct and filter the drug targets for “Homo sapiens” using the UniProt platform. Disease-related targets were obtained from the Disgenet, GeneCards, OMIM, PharmGkb, and Therapeutic Target Database. Then, the active ingredient-target network of Kanglao Jiedu admixture was constructed using Cytoscape 3.10.4, and core targets were screened for GO and KEGG enrichment analysis, followed by molecular docking. Results Kanglao Jiedu admixture contains 262 active compounds, with 1,121 targets for these compounds, 166 disease-related targets, and 54 intersections between active compounds and disease targets. The main active components of Kanglao Jiedu admixture are quercetin, luteolin, rutin, and epicatechin. They primarily act on core targets such as BCL2, IL-1β, IL-10, EGFR, TNF, IL-6, and PTGS2. These targets are mainly enriched in pathways including PI3K-Akt, MicroRNAs, EGFR, HIF-1, and p53. Molecular docking shows that the active components have good binding affinity with the core targets. Conclusion Kanglao Jiedu admixture can treat non-small cell lung cancer by regulating tumor cell apoptosis through multiple targets and pathways, while also alleviating chemotherapy-associated intestinal mucositis in non-small cell lung cancer patients by suppressing inflammation, promoting tissue repair, and maintaining intestinal homeostasis.
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