中医临床研究2025，Vol.17Issue(17)：1-9,9.DOI:10.3969/j.issn.1674-7860.2025.17.001
基于网络药理学与分子对接探讨"白芍-丹参-牡丹皮"治疗银屑病的作用机制
The action mechanism of Baishao-Danshen-Mudanpi in the treatment of psoriasis based on network pharmacology and molecular docking
摘要
Abstract
Objective:To explore the action mechanism of Baishao(Radix Paeoniae Alba)-Danshen(Radix Salviae Miltiorrhizae)-Mudanpi(Cortex Moutan)in the treatment of psoriasis by network pharmacology and molecular docking.Methods:The active ingredients and potential targets of Baishao,Danshen,and Mudanpi were collected from TCMSP,PubChem and Swiss Target Prediction databases.GeneCards and OMIM databases were used to retrieve the relevant targets of psoriasis.Venny 2.1.0 was used to draw a Venn diagram to obtain the intersection target of the active ingredients of Baishao-Danshen-Mudanpi and the target of psoriasis.The PPI network diagram of psoriasis and Baishao-Danshen-Mudanpi was obtained from STRING database.The medicine-active component-disease target network diagram was obtained by Cytoscape 3.9.1 software to screen out the core targets.The DAVID database was used for gene ontology(GO)enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis,and the molecular docking verification was carried out by AutoDock vina software.Results:A total of 51 active ingredients of Baishao,Danshen,and Mudanpi were screened,among which luteolin,kaempferol,and sclareol were the main active ingredients,with 687 potential targets,165 intersecting targets of medicine-disease,and 33 core targets such as IL-1β,AKT1,and STAT3.The KEGG pathway enrichment analysis suggested that the core targets were mainly enriched in lipid and atherosclerosis,cancer pathway,AGE-RAGE signaling pathway in diabetic complications,PI3K-Akt signaling pathways and other signaling pathways.The results of molecular docking studies showed that the binding energies of the top 5 pharmaceutical active ingredients and the top 3 core targets were all less than-5 kcal/mol,indicating that the binding conformation between the active component and the protein was relatively stable,and the interaction was closer.Conclusion:Baishao-Danshen-Mudanpi may treat psoriasis through IL-1β,AKT1,STAT3 and other targets,and their active ingredients may have certain efficacy on psoriasis and its comorbidities(such as cardiovascular and cerebrovascular diseases,and diabetes).关键词
网络药理学/白芍-丹参-牡丹皮/银屑病Key words
Network pharmacology/Baishao-Danshen-Mudanpi/Psoriasis分类
医药卫生引用本文复制引用
杨杰,陈丹萍,李志鸿,刘贵军..基于网络药理学与分子对接探讨"白芍-丹参-牡丹皮"治疗银屑病的作用机制[J].中医临床研究,2025,17(17):1-9,9.基金项目
黑龙江省医药卫生科研课题项目(20220404121093) （20220404121093）
黑龙江省中医药管理局课题(ZHY2023-106). （ZHY2023-106）
