[关键词]
[摘要]
目的 采用网络药理学技术探讨香青兰防治痴呆的物质基础和作用机制。方法 通过文献挖掘和药动学参数筛选香青兰含有的活性化合物,通过检索DrugBank、GeneCards和OMIM数据库收集与痴呆相关的靶标;运用Cytoscape软件构建香青兰防治痴呆的蛋白质相互作用网络;进行基因本体和信号通路富集分析;构建香青兰化合物-关键靶标-通路网络。结果 筛选得到香青兰中药物活性成分42种,获得香青兰防治痴呆的潜在药物靶标90个,于蛋白质互作网络中进一步筛选得到74个主要靶标,富集得到300条信号通路、1 465个生物学过程、104个细胞组分和108个分子功能,通过化合物-靶标-通路网络中获得香青兰发挥防治痴呆作用的关键化合物,如金合欢素、芹菜素、金圣草(黄)素等黄酮类化合物,以及对应的关键靶标与关键信号通路,如MAPK、APP、MAPT、PI3K等靶标与阿尔茨海默病、神经营养蛋白等通路。结论 香青兰防治痴呆具有多成分、多靶标、多通路的作用特点。
[Key word]
[Abstract]
Objective To explore the material basis and mechanism of Dracocephalum moldavica L. in the prevention and treatment of dementia.Methods The active compounds contained in D. moldavica were screened by literature mining and pharmacokinetic parameters, and the targets related to dementia were collected by searching drugbank, genecards and OMIM databases. Cytoscape software was used to construct the protein interaction network of D. moldavica for the prevention and treatment of dementia. Gene ontology and signal pathway enrichment were analyzed. The key target pathway network of D. moldavica compounds was constructed. Results 42 active components were screened, 90 potential drug targets for the prevention and treatment of dementia were obtained, 74 main targets were further screened in the protein-protein interaction network, and 300 signal pathways, 1 465 biological processes, 104 cell components and 108 molecular functions were enriched. Through the compound-target-pathway network, the key compounds that play a role in the prevention and treatment of dementia, such as acacetin, apigenin, chrysoeriol and other flavonoids, as well as the corresponding key targets and key signal pathways, such as MAPK, APP, MAPT, PI3K and Alzheimer's disease, neurotrophic protein and other pathways were obtained. Conclusion D. moldavica has the characteristics of multi-component, multi-target and multi-channel in the prevention and treatment of dementia.
[中图分类号]
R285.5
[基金项目]
国家自然科学基金NSFC-新疆联合基金重点支持项目(U1803281);中国医学科学院医学与健康科技创新工程项目(重大协同创新项目,2017-I2M-1-016)