| 金爱林,李杰凤,舒华,等.基于网络药理学探究山茱萸 -附子治疗心力衰竭的分子机制[J].安徽医药,2024,28(7):1476-1481. |
| 基于网络药理学探究山茱萸 -附子治疗心力衰竭的分子机制 |
| Exploring the molecular mechanism of corni fructus and radix aconiti lateralis praeparata treating heart failure based on network pharmacology |
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| DOI：10.3969/j.issn.1009-6469.2024.07.044 |
| 中文关键词: 心力衰竭 网络药理学 山茱萸 附子 分子机制 |
| 英文关键词: Heart failure Network pharmacology Corni fructus Radix aconiti Molecular mechanism |
| 基金项目:国家自然科学基金项目( 81760867)；国家中医药管理局第二届全国名中医传承工作室建设项目(国中医药办人教函〔2022〕245号)；贵州省中医药管理局项目( QZYY2017-033)；贵州省卫生健康委科学技术基金项目( gzwkj2022-040)；贵州中医药大学第二附属医院院内科研项目( GZEYK〔2020〕31号)；贵州中医药大学科研项目(结余经费专用)［81760867(2019)］ |
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| 中文摘要: |
| 目的基于网络药理学探究山茱萸 -附子治疗心力衰竭的分子机制。方法 2021年 4月至 2022年 5月，运用中药系统药理学数据库和分析平台( TCMSP)数据库对山茱萸 -附子有效成分进行筛选，利用SwissTargetPrediction数据库进行靶点预测。通过 DisGeNet、DrugBank、OMIM疾病数据库收集心力衰竭的治疗靶点，取疾病与药物之间的靶点交集，将靶点交集导入 STRING11.5数据库构建山茱萸 -附子蛋白质 -蛋白质相互作用( proteinprotein interaction，PPI)网络图。利用 DAVID数据库对关键靶点进行基于京都基因和基因组数据库( Kyoto encyclopedia of genes and genomes，KEGG)通路富集分析，使用 AutoDuckTool |
| 英文摘要: |
| Objective To explore the molecular mechanism of corni fructus and radix aconiti lateralis praeparata treating heart failurebased on network pharmacology.Methods From April 2021 to May 2022, the active compounds of corni fructus and radix aconiti lateralis praeparata were screened by Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, and the targets were predictedby SwissTargetPrediction database. Treatment targets for heart failure were collected from DisGeNet, DrugBank and OMIM disease databases, and the intersection of targets between diseases and drugs was taken. The targets intersecting between the disease and the drugswere imported into STRING11.5 database to construct a protein-protein interaction (PPI) network of cornus-aconitum fructus. Key targets were subjected to Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis using DAVID database, and molecular docking of key targets was performed with AutoDuckTool1.5.6 software.Results A total of 33 effective chemical compoundsand 208 targets for corni fructus and radix aconiti lateralis praeparata were screened, while there were 2046 treatment targets for heartfailure and 85 targets for the treatment of heart failure by corni fructus and radix aconiti lateralis praeparata. GO analysis in DAVID database showed the top 20 items most relevant to the disease, and KEGG analysis displayed 81 pathways. The key targets for treating heartfailure with cornus officinalis and aconitum were peroxisome proliferator-activated receptor gamma (PPARG), epidermal growth factor receptor (EGFR), estrogen receptor 2 (ESR1), and prostaglandin-endoperoxide synthase 2 (PTGS2). The main KEGG pathways mainly in cluded the cyclic guanosine monophosphate-protein kinase G signaling pathway (cGMP-PKG), hypoxia-inducible factor 1 signaling pathway (HIF-1), and peroxisome proliferator-activated receptor signaling pathway (PPAR), etc. The molecular docking results indicated that the active ingredient β-sitosterol had good affinity with key targets ESR1 and EGFR.Conclusions Corni fructus and radix aconiti lateralis praeparata in treating heart failure through multi-targets, multi-compounds, and multi-pathways. |
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