基于抑郁症相关医学文献信息挖掘潜在抗抑郁药并揭示其抗抑郁相关机制和通路,为抑郁症药物的研发提供方向.通过SemRep提取与抑郁症相关的语义三元组,限定语义关系和语义类型确定潜在药物.从PubChem、GeneCards等数据库获取潜在药物和抑郁症的靶点并取二者的交集后,构建交集靶点的蛋白相互作用(protein-protein interaction,PPI)网络.通过Cytoscape分析PPI网络,确定核心靶点.通过R软件对核心靶点进行GO(gene ontology)和KEGG(kyoto encyclopedia of genes and genomes)分析.最后,通过AutodockTool软件对核心靶点与潜在药物进行分子对接分析.结果表明Hydrocortisone、Benzo-diazepine、Curcumin、Metformin、N icotine、Risperidone等6种药物为潜在抗抑郁药,这些药物通过炎症、神经递质的调节等生物过程以及MAPK(mitogen activated protein kinase)、TNF(tumor necrosis factor)等信号通路发挥抗抑郁作用,并且与抑郁症核心靶点间结合性能良好.此外,Benzodiazepine和Nicotine在临床实践中存在成瘾和滥用的风险,在抑郁症治疗中的作用可能有限.可见基于语义三元组和网络药理学发现抑郁症药物新知识,可以节约时间和经济成本,也能为临床药物使用提供新的方向.
Discovering Depression Drugs through Semantic Triplets and Network Pharmacology
The research aims to identify potential antidepressants and elucidate their mechanisms in depression treatment through mining depression-related medical literature.Semantic triplets related to depression were extracted using SemRep to determine potential drugs by limiting semantic relationships and types.Potential drugs and depression-related targets were obtained from databases like PubChem and GeneCards,and their intersection was used to construct a protein-protein interaction(PPI)network.The PPI network was analyzed using Cytoscape to identify core targets.Core targets underwent GO(gene ontology)and KEGG(kyoto encyclopedia of genes and genomes)analysis using R software.Finally,molecular docking analysis of core targets and potential drugs was conducted using AutodockTool software.Results revealed Hydrocortisone,Benzodiazepine,Curcumin,Metformin,Nicotine,and Risperidone as potential antidepressants.These drugs exert their antidepressant effects through processes like inflammation,neurotransmitter regulation,and signaling pathways like MAPK(mitogen activated protein kinase)and TNF(tumor necrosis factor).Additionally,Benzodiazepine and Nicotine pose risks of addiction and abuse in clinical practice,potentially limiting their effectiveness in depression treatment.The study demonstrates that utilizing semantic triplets and network pharmacology can unearth novel insights into depression medications,saving time,costs,and offering new directions for clinical drug use.
万方数据
维普
