中医康复2025，Vol.2Issue(2)：70-75,6.DOI:10.19787/j.issn.2097-3128.2025.02.013
基于网络药理学和分子对接技术探讨蒙药梅花草治疗肝损伤的潜在作用机制
Reseach on The Mechanism of Mongolian Medicine Parnassia Palustris in Treating Liver Injury Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To study the mechanism of Mongolian medicine Parnassia palustris in relieving liver injury.Methods:The ac-tive compounds and corresponding targets were collected by consulting the relevant literature and TCMSP,and Swiss Target Predic-tion database.GeneCards and OMIM databases were used to collect disease targets for liver injury.Venny 2.1.0 was used to obtain the common targets,and the intersection was taken to obtain the intersecting targets,and the medicinal material-chemical composition-target-disease network was established.The protein-protein interaction(PPI)network diagram of the above potential targets was established through the STRING platform,and the gene ontology(GO)and kyoto encyclopedia of genes and genomes(KEGG)annotation analysis of the targets were performed through the David database.Cytoscape 3.8.2 software was used to con-struct the active ingredient-target-signaling pathway network diagram of Mongolian medicine Parnassia palustris,and the main ac-tive ingredients,core targets and signaling pathways were screened.The results of network pharmacology analysis were verified by Autodock.Results:28 active ingredients of Parnassia palustris were screened,and 751 targets of drug disease interaction were identi-fied.The core targets are TP53,SRC,HSP90AA1,AKT1,MAPK3,STAT3,CTNNB1,MAPK1,EGFR,EP300,etc.The binding en-ergies of molecular docking are all less than-7kcal/mol,indicating a good docking effect between the active ingredients of the drug and the target protein,which is consistent with the network pharmacological prediction results.Conclusion:Mongolian medicine Par-nassia palustris plays a therapeutic role in liver injury through multiple components,targets,and pathways.关键词
蒙药/梅花草/肝损伤/网络药理/分子对接Key words
Mongolian medicine/Parnassia palustris/liver injury/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
张金艳,孔梦梦,红艳,辛颖..基于网络药理学和分子对接技术探讨蒙药梅花草治疗肝损伤的潜在作用机制[J].中医康复,2025,2(2):70-75,6.基金项目
国家重点研发计划资助(2019YFC1712303) （2019YFC1712303）
内蒙古自然科学基金项目(2021MS08016) （2021MS08016）
