基于网络药理学探讨寿胎四君子汤调控子宫蠕动波的作用机制  

Exploration of the mechanism of regulating uterus peristaltic wave by Shoutai Sijunzi Decoction based on network pharmacology

作　　者：许婷 官蓉花 庄元[1] 曹华斌[1] XU Ting;GUAN Ronghua;ZHUANG Yuan;CAO Huabin(Ambulatory Surgical Center,Jiangxi Maternal and Child Health Hospital,Jiangxi Province,Nanchang 330006,China;Reproductive Medicine Center,North Guangdong People's Hospital,Guangdong Province,Shaoguan 512000,China)

机构地区：[1]江西省妇幼保健院日间手术中心,江西南昌330006 [2]粤北人民医院生殖医学中心,广东韶关512000

出　　处：《中国当代医药》2024年第1期4-9,14,共7页China Modern Medicine

基　　金：江西省中医药管理局科技计划课题(2021A180)。

摘　　要：目的采用网络药理学及分子对接技术探讨寿胎四君子汤调控子宫蠕动波潜在作用靶点和作用机制。方法根据中药系统药理学数据库与分析平台(TCMSP)和中药综合数据库(TCMID)筛选寿胎四君子汤的药物活性成分及作用靶点,同时利用Gencards和Drug Bank数据库挖掘子宫蠕动波相关靶点,取交集后,得到寿胎四君子汤调控异常子宫内膜蠕动波的潜在作用靶点。利用STRING平台构建潜在作用靶点蛋白相互作用网络,应用Cytoscape软件构建“药物-活性成分-交集靶点-疾病”网络。采用“cluster Profiler”包进行基因本体(GO)功能富集分析和京都基因和基因组百科全书(KEGG)通路富集分析。采用Py MOL和Au To Dock软件对核心作用靶点和活性成分单体进行分子对接验证。结果检索出寿胎四君子汤594个靶点,子宫蠕动波相关靶点90个,得到交集靶点共33个。山柰酚、β-谷甾醇、槲皮素、异鼠李素和7-甲氧基-2-甲基异黄酮为寿胎四君子的主要活性成分单体,内皮型一氧化氮合酶(NOS3)、瞬时受体电位香草酸亚型1(TRPV1)、前列腺素合成酶2(PTGS2)、胱天蛋白酶3(CASP3)和前列腺素合成酶1(PTGS1)为核心作用靶点。KEGG通路主要富集在神经活性配体-受体相互作用、钙信号通路、5-羟色胺能突触、肾素分泌、瞬时受体电位(TRP)通道的炎症介质调节、环磷酸鸟苷酸-蛋白激酶G(c GMP-PKG)信号通路和松弛素信号通路等。分子对接显示山柰酚、β-谷甾醇、槲皮素、异鼠李素和7-甲氧基-2-甲基异黄酮均能与核心作用靶点稳定结合。结论寿胎四君子汤可能靶向NOS3、TRPV1、PTGS2、CASP3和PTGS1等核心基因,调控神经活性配体-受体相互作用、钙信号通路、5-羟色胺能突触、肾素分泌、TRP通道的炎症介质调节、c GMP-PKG信号通路和松弛素信号等通路,发挥调控子宫蠕动波的作用。Objective To explore the potential target and mechanism of the regulation of uterus peristaltic wave by Shoutai Sijunzi Decoction based on network pharmacology and molecular docking techniques.Methods Based on Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and Traditional Chinese Medicines Inte-grated Database(TCMID),the active ingredients and targets of Shoutai Sijunzi Decoction were screened.At the same time,Gencards and DrugBank databases were used to mine the relevant targets of uterus peristaltic waves,and the potential tar-gets of regulating abnormal endometrial peristalsis waves were obtained after the intersections were taken.The protein inter-action network of potential target was constructed using the STRING platform,and the"drug-active ingredients-intersection target-disease"network was constructed using Cytoscape software.The"clusterProfiler"package was used for gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.PyMOL and AuTo Dock software were used to verify the molecular docking between the core target and the active component monomer.Results A total of 594 targets of Shoutai Sijunzi Decoction were retrieved,90 targets of uterus peristaltic wave correlation,and 33 intersection targets were obtained.Kaempferol,β-sitosterol,quercetin,isorhamnetin and 7-methoxy-2-methyl isoflavones were the main active monomers of tetraphanoides,and nitric oxide synthase 3(NOS3),

关 键 词：寿胎四君子汤 子宫蠕动波 网络药理学 子宫平滑肌 分子对接 活性成分 

分 类 号：R285[医药卫生—中药学]