摘要
目的用网络药理学及分子对接方法,研究三七花改善阿尔兹海默病(AD)的作用机制。方法采用TCMSP数据库筛选三七花活性成分和相应靶点,利用DisGeNET数据库和GeneCards数据库查找AD的相关靶点、Cytoscape 8.0软件构建“活性成分-靶点”关联网络,并对关键靶点进行GO功能富集和KEGG通路分析。将筛选得到的三七花活性成分和作用靶点通过分子对接验证。结果三七花活性成分中有23个成分对应AD靶点34个。主要通过西多糖苷(Sitogluside)、β-谷甾醇(beta-sitosterol)、β-榄香烯等活性成分调控CHRM1、CHRM2、PTGS2等靶点改善AD,特别是西多糖苷、β-谷甾醇与PTGS2、CHRM2等靶点有较强的结合。结论三七花的活性成分可能通过调控CHRM1、CHRM2、PTGS2、ADRB2、SLC6A4、PTGS1、RELA、IL10等靶标,PI3K-Akt信号通路等多个途径发挥干预AD的作用。
Objective To study the mechanism of improving Alzheimer's disease(AD)by using network pharmacology and molecular docking methods.Methods TCMSP database was used to screen the active components and corresponding targets of Notoginseng Flos,DisGeNET database and GeneCards database to find relevant targets of AD,and Cytoscape 8.0 software to construct"active component-target"association network,and perform GO function enrichment and KEGG pathway analysis of key targets.The selected active components and targets of Notoginseng Flos were verified by molecular docking.Results 23 components of the active components of Notoginseng Flos Correlated to 34 AD targets.Among them,sitogluside,β-sitosterol andβ-copolyside might improve AD by regulating CHRM 1,CHRM 2 and PTGS 2,β-sitosterol(beta-sitosterol),especially west polysoside,β-sitosterol and PTGS 2 and CHRM 2.And sitogluside,β-sitosterol were strongly bound with the targets.Conclusion The active components of Notoginseng Flos may intervene in AD by regulating CHRM 1,CHRM 2,PTGS 2,ADRB 2,SLC6A4,PTGS 1,RELA,IL 10,and PI3K-Akt signaling pathway.
作者
胡靖
郭琰
马雅鸽
赵声兰
HU Jing;GUO Yan;MA Yage;ZHAO Shenglan(Yunnan University of Chinese Medicine,Kunming 650500,China)
出处
《云南中医药大学学报》
2023年第4期61-68,共8页
Journal of Yunnan University of Chinese Medicine
基金
云南省生物医药重大专项(202102AE09003,202002AA100007)
云南省科技厅-云南中医药大学联合专项重点项目(2019FF002-006)。
关键词
三七花
阿尔兹海默病
网络药理学
分子对接
Notoginseng Flos
Alzheimer?蒺s disease
network pharmacology
molecular docking
