黄芪-当归药对治疗骨髓造血功能障碍的作用及机制研究  

Study on the effect and mechanism of Astragalus-Angelica drug pair in thetreatment of bone marrow hematopoietic dysfunction

作　　者：马真金 牛淑秀 郭文龙[2] 李彦荣[2] 张丽霞 陈小倩 MA Zhenjin;NIU Shuxiu;GUO Wenlong;LI Yanrong;ZHANG Lixia;CHEN Xiaoqian(Dingxi People′s Hospital,Dingxi,Gansu 743000,China;Gansu University of Traditional Chinese Medicine,Lanzhou,Gansu 730101,China)

机构地区：[1]定西市人民医院,甘肃定西743000 [2]甘肃中医药大学,甘肃兰州730101

出　　处：《现代医药卫生》2024年第21期3629-3636,共8页Journal of Modern Medicine & Health

基　　金：国家自然科学基金项目(82360905);甘肃省自然科学基金项目(21JB1RA268);甘肃省定西市科技计划项目(DX2023BZ14);甘肃省教育厅高校教师创新基金项目(2023B-116)。

摘　　要：目的通过网络药理学与分子对接技术探讨黄芪-当归药对治疗骨髓造血功能障碍的作用和机制。方法通过TCMSP、batMan-tcm数据库检索黄芪-当归的活性成分及对应靶点,通过OMIM、GeneCards数据库检索骨髓造血功能障碍相关基因靶点,构建共有靶点与中药活性成分网络、蛋白-蛋白相互作用网络,进行基因本体功能和京都基因与基因组百科全书分析,并通过分子对接技术预测菊花-茶活性成分与潜在靶点结合能力。结果获得黄芪活性成分39个、靶点425个,当归活性成分100个、靶点1179个,黄芪-当归药对化合物、靶点去重后得到有效成分132个、靶点1326个。获得骨髓造血功能障碍相关基因靶点386个,疾病靶点与药对的公共靶点54个,与疾病相关的活性成分67个。黄芪-当归药对治疗骨髓造血功能障碍主要作用通路、基因和蛋白包括白细胞介素(IL)-17信号通路、肿瘤坏死因子(TNF)信号通路、细胞因子-细胞因子受体相互作用、Th17细胞分化、TP53基因、IL-1B/6/10、FOS蛋白家族等。黄芪-当归药对中Phenylacetic acid、P-Ethylphenol、Adenine等化学成分与FASLG、FAS、CASP3、CASP8、BCL2等基因靶点和Fas/FasL、TPO/c-MPL信号通路中FASLG、CASP8、BCL2、MPL、THPO、CBL等蛋白靶点有一定的结合活性,有些有良好的结合活性,甚至表现出强烈的结合能力。结论黄芪-当归药对活性成分可能通过作用于TP53、IL1B/6/10、TNF、FOS等核心靶点和Fas/FasL、TPO/c-MPL信号通路,发挥治疗骨髓造血功能障碍的作用。Objective To explore the effect and mechanism of Astragalus-Angelica drug pair on the treatment of bone marrow hematopoietic dysfunction by network pharmacology and molecular docking technology.Methods The TCMSP and BATMAN-TCM databases were used to retrieve the active components and corresponding targets of Astragalus-Angelica sinensis,and the OMIM and GeneCards databases were used to retrieve the gene targets related to bone marrow hematopoietic dysfunction.The network of common targets and active components of traditional Chinese medicine and protein-protein interaction network were constructed,and gene ontology function and Kyoto encyclopedia of genes and genomes were analyzed.Molecular docking technology was used to predict the binding ability of active components of chrysanthemum-tea to potential targets.Results A total of 39 active components and 425 targets were obtained from Astragalus membranaceus,100 active components and 1179 targets were obtained from Angelica sinensis,and 132 active components and 1326 targets were obtained from Astragalus membranaceus-Angelica sinensis drug pair compounds and targets after deduplication.A total of 386 gene targets related to bone marrow hematopoietic dysfunction,54 common targets of disease targets and drug pairs,and 67 disease-related active ingredients were obtained.The main pathways,genes and proteins of Astragalus-Angelica drug pair in the treatment of bone marrow hematopoietic dysfunction include interleukin(IL)-17 signaling pathway,tumor necrosis factor(TNF)signaling pathway,cytokine-cytokine receptor interaction,Th17 cell differentiation,TP53 gene,IL-1B/6/10,FOS protein family,etc.Phenylacetic acid,P-Ethylphenol,Adenine and other chemical components in Astragalus-Angelica drug pair have certain binding activity with FASLG,FAS,CASP3,CASP8,BCL2 and other gene targets and Fas/FasL,TPO/c-MPL signaling pathway FASLG,CASP8,BCL2,MPL,THPO,CBL and other protein targets,some have good binding activity,and even show strong binding ability.Conclusion The active componen

关 键 词：黄芪 当归 骨髓造血功能障碍 网络药理学 分子对接 

分 类 号：R318.12[医药卫生—生物医学工程]