基于网络药理学和特征图谱的阿胶强骨口服液质量标志物预测分析  

Q-Marker prediction analysis of Ejiao Qianggu Oral Liquid based on network pharmacology and characteristic map

作　　者：美拉依·吉恩斯 黄卉 周钢 武嘉林 Meilayi Jiensi;HUANG Hui;ZHOU Gang;WU Jialin(College of Traditional Chinese Medicine,Xinjiang Medical University,Urumqi 830017,China;Xinjiang Huashidan Pharmaceutical Co.,Ltd.Urumqi 830011,China;Xinjiang Uygur Autonomous Region Drug Inspection and Research Institute,Urumqi 830002,China)

机构地区：[1]新疆医科大学中医学院,乌鲁木齐830017 [2]新疆华世丹药业股份有限公司,乌鲁木齐830011 [3]新疆维吾尔自治区药品检验研究院,乌鲁木齐830002

出　　处：《新疆医科大学学报》2023年第3期382-389,397,共9页Journal of Xinjiang Medical University

基　　金：第二师铁门关市中青年科技创新领军人才计划项目(2020RCTD03);兵团科技成果转移转化引导计划项目(2021BA001)。

摘　　要：目的 基于中药质量标志物(Q-Marker)“五原则”,结合网络药理学、特征图谱和化学计量学及技术对阿胶强骨口服液的潜在标志物进行预测分析。方法 采用网络药理学方法筛选阿胶强骨口服液活性成分,通过构建“活性成分-交集靶点”网络,筛选治疗骨质疏松病症的相关靶点和通路,对网络药理学结果的成分和靶点进行对接验证;再运用高效液相色谱法建立阿胶强骨口服液特征图谱,采用化学计量学方法对不同批次的阿胶强骨口服液进行分析,综合预测阿胶强骨口服液的Q-Marker。结果 共筛选到96个活性成分和249个交集靶点,其中分子对接结果表明芒柄花素与MAPK1、TP53具有较好的结合能力;建立15批阿胶强骨口服液特征图谱,通过化学计量学结果确定了毛蕊异黄酮苷、党参炔苷、芒柄花素、毛蕊异黄酮、芒柄花素;综合分析预测其中3个具有差异性的成分毛蕊异黄酮、党参炔苷、芒柄花素作为潜在质量标志物。结论 建议可将毛蕊异黄酮、党参炔苷、芒柄花素作为阿胶强骨口服液的Q-marker,为后续质量控制和临床研究提供参考依据。Objective To predict and analyze the potential markers of Ejiao Qianggu oral liquid based on the“five principles”of Chinese medicine quality marker(Q-marker),combined with network pharmacology,characteristic atlas and chemometrics and technology.Methods The active components of Ejiao Qianggu Oral Liquid were screened by network pharmacology method,and the relevant targets and pathways for the treatment of osteoporosis were screened by building a“active component-intersection target”network,and the components and targets of the network pharmacology results were docking verified;15 batches of Ejiao Qianggu Oral Liquid feature maps were established by high performance liquid chromatography,and different batches of Ejiao Qianggu Oral Liquid were analyzed by chemometric methods to comprehensively predict the Q-marker of Ejiao Qianggu Oral Liquid.Results A total of 96 active ingredients and 249 cross targets were screened.The results of molecular docking showed that Formononetin had good binding ability to MAPK1 and TP53;and 15 batches of characteristic maps of donkey hide gelatin Qianggu oral liquid were established.The results of chemometrics confirmed the pistil isoflavone glycosides,codonosyl glycosides,awnstalk anthocyanins,pistil isoflavones,awnstalk anthocyanins.Comprehensive analysis predicted that 3 components with differences,namely,pistil isoflavones,codonosyl glycosides,and ampiolin,were potential quality markers.Conclusion It suggested that pistil isoflavones,codonosyl and sessile can be used as Q-marker of Donkey hide gelatin Qianggu oral liquid,which can provide reference for subsequent quality control and clinical research.

关 键 词：阿胶强骨口服液 骨质疏松症 质量标志物 特征图谱 网络药理学 

分 类 号：R284.5[医药卫生—中药学]