摘要
目的基于复杂网络分析挖掘王小云教授治疗围绝经期综合征的用药规律及其核心药物作用机制。方法收集王小云教授治疗围绝经期综合征的有效门诊中药处方,经数据标准化处理后,用SPSS Modeler软件对药物进行频次、四气五味归经属性分析、关联规则分析及复杂网络分析,挖掘核心药对;借助系统药理学方法筛选核心药对(桃仁-红花)的有效活性成分及其靶点,构建药物-有效成分-靶点网络及药物与疾病关键靶点蛋白互作网络,并进行基因本体(GO)富集分析与基因组百科全书(KEGG)通路富集分析;通过综合以上网络分析筛选出关键成分及靶点进行分子对接初步验证。结果共筛选出339首处方,涉及230味中药,总频次为2757次,使用频次≥35的中药有赤芍、白术、郁金、杜仲、葛根、酸枣仁等20味,主要以理气药、补阴药、补气药、活血调经药;通过关联规则分析所得的用药模式中,桃仁-红花药对支持度排序位列第一。共筛选出桃仁-红花潜在活性成分34个,靶点319个,药物与疾病交集关键靶点148个,富集分析结果显示,在桃仁-红花治疗围绝经期综合征的过程中,可能与肿瘤坏死因子(TNF)信号通路、丝裂原活化蛋白激酶(MAPK)信号通路、磷脂酰肌醇3-激酶/蛋白激酶B(PI3K-Akt)信号通路、雌激素(Estrogen)信号通路密切相关;分子对接显示槲皮素(Quercetin)、山奈酚(Kaempferol)、木犀草素(Luteolin)、豆甾醇(Stigmasterol)、黄芩素(Baicalein)等成分与前列腺素G/H合酶2(PTGS2)、蛋白激酶(AKT1)、肿瘤蛋白(TP53)等靶点具有较好的结合力。结论通过对有效处方挖掘、关联规则等方法,充分展示了王小云教授治疗围绝经期综合征的治疗特色,其核心药物的活性成分主要通过PTGS2、AKT1、TP53等靶点与TNF信号通路、MAPK信号通路、PI3K/AKT信号通路及Estrogen信号通路等来缓解围绝经期综合征的临床症状。
Objective Based on complex network analysis,to explore the medication rules of Professor Wang Xiaoyun in the treatment of perimenopausal syndrome and its core drug action mechanism.Methods The effective outpatient Chinese medicine prescriptions of Professor Wang Xiaoyun for the treatment of perimenopausal syndrome were collected.After data standardization,SPSS Modeler software was used to analyze the frequency of the drugs,the attributes of the four qi and five flavors to the meridian,the association rule analysis and the complex network analysis to mine the core Drug pairs;screen the active ingredients and their targets of the core drug pairs(Taoren-Honghua)with the help of systematic pharmacology methods,construct a drug-active ingredient-target network and a drug-disease key target protein interaction network,and conduct GO and KEGG pathway enrichment analysis;key components and targets were screened out through comprehensive network analysis for preliminary verification of molecular docking.Results A total of 339 prescriptions were screened out,involving 230 traditional Chinese medicines with a total frequency of 2757.The traditional Chinese medicines with a frequency of≥35 were 20 Chinese herbs,including Chishao,Baizhu,Yujin,Eucommia,Pueraria,and Suanzaoren.Yin-tonifying medicine,Qi-invigorating medicine,blood-activating and menstrual-regulating medicine;among the medication patterns obtained through the analysis of association rules,the peach kernel-safflower medicine ranks first in support.A total of 34 potential active components,319 targets,and 148 key targets of drug-disease intersection were screened out.The enrichment analysis results showed that in the process of peach kernel-safflower in the treatment of perimenopausal syndrome,it may be possible It is closely related to TNF signaling pathway,MAPK signaling pathway,PI3K/AKT signaling pathway,and Estrogen signaling pathway.Molecular docking shows that Quercetin,Kaempferol,Luteolin,Stigmasterol,Baicalein and other components have good binding ability to PTGS2,AKT1,TP53 and other targets.Conclusion Through the mining of effective prescriptions,association rules and other methods,the therapeutic characteristics of Professor Wang Xiaoyun in the treatment of perimenopausal syndrome are fully demonstrated.The active components of his core drugs mainly interact with TNF signaling pathway,MAPK through PTGS2,AKT1,TP53 and other targets.signaling pathway,PI3K/AKT signaling pathway and Estrogen signaling pathway to relieve the clinical symptoms of perimenopausal syndrome.
作者
宋雷
黄旭春
曹晓静
方坚松
王小云
Song Lei;Huang Xuchun;Cao Xiaojing;Fang Jiansong;Wang Xiaoyun(The Second Clinical School of Guangzhou University of Chinese Medicine,Guangzhou 510405,China;The Second Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou 510120,China;Science and Technology Innovation Center,Guangzhou University of Chinese Medicine,Guangzhou 510405,China)
出处
《世界科学技术-中医药现代化》
CSCD
北大核心
2023年第2期647-658,共12页
Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology
基金
中国生物技术发展中心东部地区名老中医学术观点、特色诊疗方法和重大疾病防治经验研究(2018YFC1704102):王小云名老中医学术观点、特色诊疗方法和重大疾病防治经验研究,负责人:黄旭春
国家中医药管理局王小云全国名老中医药专家传承工作室项目(国中医药人教发[2016]42),负责人:王小云
国家自然科学基金委员会青年科学基金项目(82004411):基于脑肠轴及miR124介导的sema3A/NRP1通路探讨养阴舒肝法治疗围绝经期抑郁症的作用机制,负责人:曹晓静
关键词
围绝经期综合征
名医经验
数据挖掘
复杂网络分析
作用机制
Perimenopausal disorders
Famous doctor’s experience
Data mining
Complex network analysis
Mechanism of action
作者简介
通讯作者:王小云,主任医师,主要研究方向:中医药防治妇科内分泌疾病。
