中国中医药图书情报杂志2024，Vol.48Issue(5)：81-87,7.DOI:10.3969/j.issn.2095-5707.202309130
基于网络药理学和分子对接技术探讨石菖蒲-川芎治疗阿尔茨海默病的潜在机制
Exploration on the Potential Mechanism of Acori Tatarinowii Rhizoma-Chuanxiaong Rhizoma in the Treatment of Alzheimer's Disease Based on Network Pharmacology and Molecular Docking Technique
摘要
Abstract
Objective To explore the active components and action targets of Acori Tatarinowii Rhizoma-Chuanxiaong Rhizoma in the treatment of Alzheimer's disease(AD)based on network pharmacology and molecular docking technology.Methods The TCMSP platform was used to screen the active components and related targets of Acori Tatarinowii Rhizoma-Chuanxiaong Rhizoma.Differentially expressed genes for AD were obtained from the GEO database.Cross-disparate genes for diseases and drugs were obtained by Perl software.The cross-disparate genes were analyzed by protein interaction(PPI)construction,GO and KEGG enrichment.AutoDockTools1.5.6 software to perform molecular docking validation between the main active components and the core targets.Results A total of 14 active components were screened.Seven of the active components(kaempferol,β-fine-octyl ether,8-isopentenyl-kaempferol,(1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan,yangmei ketone,vanillin,and chuanxiongxiongdiao)were identified as the most relevant active ingredients.21 cross-differential genes were obtained.By topological analysis,18 strongly related proteins were identified,of which 10 targets were predicted core targets.A total of 67 cellular components,73 molecular functions and 465 biological processes were enriched;31 signaling pathways were enriched by KEGG.The molecular docking results showed that the key components of 7 had the affinity with the target genes HSP90AA1,ADRA2C,GABRA1,and CHRM3 with higher number.Conclusion The key active components of Acori Tatarinowii Rhizoma-Chuanxiaong Rhizoma may exert therapeutic effects on AD through signaling pathways such as neuroactive ligand-receptor interactions,fluid shear stress and atherosclerosis,and calcium signaling pathway,acting on the targets of HSP90AA1,ADRA2C,GABRA1,and CHRM3.关键词
石菖蒲/川芎/阿尔茨海默病/网络药理学Key words
Acori Tatarinowii Rhizoma/Chuanxiaong Rhizoma/Alzheimer's disease/network pharmacology分类
医药卫生引用本文复制引用
曹楠,叶智裕,莫彬艳,王宁,陈洪达..基于网络药理学和分子对接技术探讨石菖蒲-川芎治疗阿尔茨海默病的潜在机制[J].中国中医药图书情报杂志,2024,48(5):81-87,7.基金项目
广东省中医药局科研项目(20211098) （20211098）
