药学研究2024，Vol.43Issue(6)：536-543,8.DOI:10.13506/j.cnki.jpr.2024.06.003
基于数据挖掘和网络药理学探讨中医药治疗支气管扩张症组方规律及作用机制
Medication rules and mechanism of traditional Chinese medicine in the treatment of bronchiectasis based on data mining and network pharmacology
摘要
Abstract
Objective To investigate the medication rules and molecular mechanism of traditional Chinese medicine(TCM)in the treatment of bronchiectasis based on data mining and network pharmacology.Methods The clinical literature on the treatment of bronchiectasis by TCM compounds were collected from CNKI,Wanfang Data,VIP,and PubMed Database.The information of TCM compounds were extracted and the database was built to explore the medication rules.The key targets and mechanism of action of high frequency drug combinations were analyzed by network pharmacology method and verified by molecular docking.Results Totally 252 literatures were included,and 284 prescriptions were selected,involving 242 Chinese herbs.The most frequently used drugs were Glycyrrhiza rhizome,Scutellaria baicalensis,Platycodon,Morus alba,Coix lacryma and Houttuynia cordata,and the drug combination with strong correlation was"Coix lacryma-Benincasa seed".The key active components of"Coix lacryma-Benincasa seed"combination are sitosterol,stigmasterol,mandenol,linolenic acid,etc.There were 86 targets in the treatment of bronchiectasis,and RAC-alpha serine/threonine-protein kinase(AKT1),interleukin-6(IL-6),proto-oncogene tyrosine-protein kinase(SRC),signal transducer and activator of transcription 3(STAT3),Epidermal growth factor receptor(EGFR)were the core targets.It plays a role through the cellular response to chemical stress,oxidative stress,bacterial molecules,migration and adhesion of inflammatory cells,involving advanced glycation end products-advanced glycation end products receptor(AGE-RAGE),hypoxia inducing factor-1(HIF-1),and nuclear transcription factor kappa-B(NF-κB)signaling pathways.Molecular docking results showed that the main components docked well with the core targets and had stable binding energy.Conclusion Chinese medicine primarily focuses on clearing heat,resolving phlegm,relieving cough,and expelling pus while treating bronchiectasis.From molecular level reveals the mechanism of"Coix lacryma-Benincasa seed"in the treatment of bronchiectasis,providing theoretical basis for clinical application and drug development.关键词
中医药/支气管扩张症/数据挖掘/网络药理学/分子对接/作用机制Key words
Traditional Chinese medicine/Bronchiectasis/Data mining/Network pharmacology/Molecular docking/Medication rules分类
中医学引用本文复制引用
焦欣,吴文玉,邵阿雪,何清清,王凯..基于数据挖掘和网络药理学探讨中医药治疗支气管扩张症组方规律及作用机制[J].药学研究,2024,43(6):536-543,8.基金项目
国家自然科学基金(No.81973814) （No.81973814）
