[1]李 硕,赵佩佩,袁 斌.基于数据挖掘和网络药理学探讨中药治疗儿童腺样体肥大的用药规律和作用机制[J].医学信息,2024,37(02):55-63.[doi:10.3969/j.issn.1006-1959.2024.02.009]
　LI Shuo,ZHAO Pei-pei,YUAN Bin.Medication Rule and Mechanism of Traditional Chinese Medicine in the Treatment of Adenoidal Hypertrophy in Children Based on Data Mining and Network Pharmacology[J].Journal of Medical Information,2024,37(02):55-63.[doi:10.3969/j.issn.1006-1959.2024.02.009]
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基于数据挖掘和网络药理学探讨中药治疗儿童腺样体肥大的用药规律和作用机制()
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医学信息[ISSN:1006-1959/CN:61-1278/R]

卷:
37卷
期数:
2024年02期
页码:
55-63
栏目:
中医药信息学
出版日期:
2024-01-15

文章信息/Info

Title:
Medication Rule and Mechanism of Traditional Chinese Medicine in the Treatment of Adenoidal Hypertrophy in Children Based on Data Mining and Network Pharmacology
文章编号:
1006-1959（2024）02-0055-09
作者:
李 硕; 赵佩佩; 袁 斌
（南京中医药大学附属医院儿科，江苏 南京 210029）
Author(s):
LI Shuo; ZHAO Pei-pei; YUAN Bin
(Department of Pediatrics,Affiliated Hospital of Nanjing University of Chinese Medicine,Nanjing 210029,Jiangsu,China)
关键词:
儿童腺样体肥大; 中医药; 数据挖掘; 网络药理学; 分子对接
Keywords:
Baizhu; Tusizi; Network pharmacology; Polycystic ovary syndrome; Targets prediction
分类号:
R259
DOI:
10.3969/j.issn.1006-1959.2024.02.009
文献标志码:
A
摘要:
目的 基于数据挖掘和网络药理学研究儿童腺样体肥大的用药规律及其作用机制，为中药的临床应用提供参考。方法 检索CBM、CNKI、Wanfang、VIP中运用中药复方治疗儿童腺样体肥大的文献，对纳入处方中药物的基本应用规律及关联规则、聚类、复杂网络进行综合分析。将文献数据挖掘获得的中药治疗腺样体肥大的核心药物导入TCMSP，筛选后得到核心药物的有效成分及相应靶点。在GeneCards、OMIM和TTD数据库中检索 “adenoid hypertrophy”，得到腺样体肥大的靶点；将疾病和药物靶点导入Cytoscape和STRING平台，构建“疾病-药物-成分-靶点”网络与核心药物治疗儿童腺样体肥大的PPI网络；运用DAVID数据库进行GO富集分析及KEGG通路富集分析；利用PyMol和Auto Dock Tools处理后对关键成分和靶点进行分子对接验证。结果 共纳入69篇文献，87个处方，174味中药；综合分析得到甘草、辛夷、白芷、夏枯草、浙贝母为治疗儿童腺样体肥大的核心药物。网络药理学分析显示，核心药物发挥治疗作用可能基于151个有效成分，核心药物与疾病共有109个关键治疗靶点；核心药物的有效成分主要有豆甾7-烯醇、β-谷甾醇、豆甾醇等甾醇类化合物及木犀草素、山奈酚和异鼠李素等黄酮类化合物，这些成分主要具有抗炎、抗氧化、免疫调节及清除自由基等作用，可能通过调控PI3K-AKT及TNF等关键炎症信号通路来发挥治疗作用。分子对接发现关键成分与靶点间均具有较好的结合力。结论 中药治疗儿童腺样体肥大以清热、解表、补益、化痰止咳平喘和活血化瘀药为主，用药多归肺、肝、胃经，辛夷-白芷和苍耳子-夏枯草、辛夷是关键药对，可以作用于PI3K-AKT及TNF等通路来治疗腺样体肥大，可能成为中药治疗腺样体肥大的方向之一。
Abstract:
Objective To study the mechanism of Chinese medicine Baizhu-Tusizi in the treatment of polycystic ovary syndrome(PCOS) based on network pharmacology, in order to provide a basis for the development of new drugs and the application of classical formulas.Methods The database of Traditional Chinese Medicine Systems Pharmacology Platform (TCMSP) was used to obtain the main chemical components and targets of Baizhu and Tusizi, and ADME was used to select the active ingredients of Baizhu and Tusizi; PCOS targets were obtained through Gencards, PharmGkb, DisGeNET, DRUGBANK and other different databases, and protein interaction was studied on PCOS through the String platform, PPI network structure was established, and possible protein structures were deeply explored. The "drug-ingredient-target" was studied using Metascape technology, and the "Baizhu-Tusizi-PCOS-pathway" was established using Cytoscape 3.7.1 software.Rseults A total of 15 active ingredients were screened for Baizhu-Tusizi drugs, which acted on 198 predicted targets; 2200 disease targets were screened; Wayne diagram obtained 136 common targets; Baizhu-Tusizi drugs played a regulatory role in regulating endocrine and ovarian function on the regulatory pathway of PCOS, including AGE-RAGE signaling pathway, IL-17 signaling pathway, MAPK signaling pathway, etc.Conclusion In the treatment of PCOS, Baizhu-Tusizi may regulate endocrine and ovarian function by participating in the regulation of AGE-RAGE signaling pathway, IL-17 signaling pathway, MAPK signaling pathway, etc. on AKT1, JUN, CASP3, MAPK8 and other targets, providing a basis for the clinical development and utilization of Baizhu-Tusizi drug pairs.

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更新日期/Last Update: 1900-01-01