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基于数据挖掘和网络药理学探讨功能性消化不良伴抑郁情绪的用药规律和作用机制
刘 涛,王思宇,徐 寅
0
(湖南中医药大学,湖南 长沙,410208;湖南中医药大学第一附属医院,湖南 长沙,410007)
摘要:
目的:基于数据挖掘与网络药理学探究中医药治疗功能性消化不良(FD)伴抑郁情绪的用药规律,预测核心药物的潜在作用机制,以期为临床治疗提供参考。方法:检索中国知网(CNKI)、万方数据(WANFANG DATA)、维普中文科技期刊数据库(VIP)中关于中医药治疗FD伴抑郁情绪的文献,对处方中药物进行使用频次、性味归经、关联规则及聚类分析。利用TCMSP和Uniprot数据库对核心药物成分靶点进行预测和规范,与疾病靶点取交集靶点后构建蛋白质-蛋白质相互作用(PPI)网络,基于DAVID数据库进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析。结果:共纳入处方74首,中药90味。其中柴胡的使用频次最高;高频药物药味以辛、苦为主,药性以温、平为主,多归脾、肺、胃经;关联规则提示“柴胡-白芍”关联性最强;聚类分析将中药分为3类。网络药理学分析得到治疗FD伴抑郁情绪的核心药对“柴胡-白芍”,核心成分包括槲皮素、β-谷甾醇、异鼠李素、豆甾醇等,核心靶点为蛋白激酶Bα(AKT1)、肿瘤抗原p53(TP53)、丝裂原活化蛋白激酶1(MAPK1)等,信号通路主要涉及糖尿病并发症中的晚期糖基化终产物及其受体(AGE/RAGE)信号通路、脂酰肌醇3激酶-蛋白激酶B(PI3K/Akt)信号通路等。结论:中医药治疗FD伴抑郁情绪多选用辛温及归脾、胃、肺经之品,核心药对“柴胡-白芍”通过多靶点作用于多通路防治FD伴抑郁情绪,为进一步发掘其潜在作用机制提供方向。
关键词:  功能性消化不良  抑郁情绪  数据挖掘  网络药理学  用药规律  作用机制
DOI:
Medication rule and mechanism of action in functional dyspepsia with depressed mood:A study based on data mining and network pharmacology
LIU Tao,WANG Siyu,XU Yin
(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;The First Affiliated Hospital of Hunan University of Chinese Medicine,Changsha 410007,Hunan,China)
Abstract:
Objective:To investigate the medication rule of traditional Chinese medicine (TCM) and the potential mechanism of action of core drugs in the treatment of functional dyspepsia (FD) with depressed mood based on data mining and network pharmacology,and to provide a reference for clinical treatment. Methods:CNKI,Wanfang Data,and VIP were searched for articles on TCM treatment of FD with depressed mood,and the drugs in prescriptions were analyzed in terms of frequency of use,nature/taste/meridian entry,association rule,and cluster analysis. TCMSP and Uniprot databases were used to predict and regulate the targets of core drug components,which were intersected with disease targets to construct a protein-protein interaction (PPI) network,and DAVID database was used to perform the gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis. Results:A total of 74 prescriptions and 90 TCM drugs were included,among which Bupleurum chinense had the highest frequency of use. High-frequency drugs were mainly warm or neutral in nature and had a pungent or bitter taste,and they mainly entered the spleen,lung,and stomach meridians. The association rule analysis showed the strongest association between Bupleurum chinense and Radix Paeoniae Alba,and the TCM drugs were clustered into 3 categories based on the cluster analysis. Network pharmacology obtained the core drug pair of Bupleurum chinense and Radix Paeoniae Alba in the treatment of FD with depressed mood. Core components included quercetin,beta-sitosterol,isorhamnetin,and stigmasterol; core targets included protein kinase-Bα,tumor antigen p53,and mitogen-activated protein kinase 1; main signaling pathways included the AGE/RAGE signaling pathway and the PI3K/Akt signaling pathway. Conclusion:Drugs with a pungent taste and a warm nature that mainly enter the spleen,stomach,and lung meridians are mainly used for the TCM treatment of FD with depressed mood,and the core drug pair of Bupleurum chinense and Radix Paeoniae Alba exerts an effect on the prevention and treatment of FD with depressed mood through multiple pathways,which provides directions for further exploring potential mechanism of action.
Key words:  functional dyspepsia  depressed mood  data mining  network pharmacology  medication rule  mechanism of action

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