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1.成都中医药大学 药学院,西南特色中药资源国家重点实验室,成都 611137
2.华润三九医药股份有限公司,广东 深圳 518110
3.华润三九(黄石)药业有限公司,湖北 黄石 435003
卢丽洁,在读硕士,从事药用资源评价与综合利用研究,Tel:028-61800235,E-mail:lulijie6_6@163.com
吴清华,讲师,从事道地药材品种、品质研究,Tel:028-61800235,E-mail:20122051@cdutcm.edu.cn
裴瑾,教授,博士生导师,从事中药资源品种、品质研究,E-mail:peixjin@163.com; *
收稿日期:2022-06-28,
网络出版日期:2022-12-20,
纸质出版日期:2023-07-05
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卢丽洁,吴清华,朱兴龙等.“利咽”功效关联的金果榄质量标志物分析[J].中国实验方剂学杂志,2023,29(13):140-150.
LU Lijie,WU Qinghua,ZHU Xinglong,et al.Quality Marker (Q-marker) of Tinosporae Radix Associated with Efficacy of "Relieving Sore Throat"[J].Chinese Journal of Experimental Traditional Medical Formulae,2023,29(13):140-150.
卢丽洁,吴清华,朱兴龙等.“利咽”功效关联的金果榄质量标志物分析[J].中国实验方剂学杂志,2023,29(13):140-150. DOI: 10.13422/j.cnki.syfjx.20230117.
LU Lijie,WU Qinghua,ZHU Xinglong,et al.Quality Marker (Q-marker) of Tinosporae Radix Associated with Efficacy of "Relieving Sore Throat"[J].Chinese Journal of Experimental Traditional Medical Formulae,2023,29(13):140-150. DOI: 10.13422/j.cnki.syfjx.20230117.
目的
2
基于超高效液相色谱-四极杆-飞行时间串联质谱(UPLC-Q-TOF-MS)技术、多元统计分析和网络药理学技术研究金果榄的“利咽”质量标志物(Q-Marker)。
方法
2
首先采用UPLC-Q-TOF-MS技术辨识18批金果榄中的主要化学成分。在此基础上,一方面采用主成分分析和正交偏最小二乘法判别分析筛选出造成组间差异的主要标志性成分;另一方面利用网络药理学技术预测潜在“利咽”成分,并对多元统计分析和网络分析所得化合物交集与核心靶点进行分子对接,验证质量标志物准确性。
结果
2
UPLC-Q-TOF-MS共鉴定出金果榄中17个化合物,包括生物碱类、二萜内酯类、甾醇类等类型化合物。基于多元统计分析方法寻找到5个主要差异性成分,分别为非洲防己碱、药根碱、巴马汀、蝙蝠葛任碱和古伦宾。基于网络分析筛选出四氢巴马汀、巴马汀、蝙蝠葛任碱、去氧黄藤苦素、neoechinulin A、古伦宾共6个化合物为金果榄的潜在“利咽”成分;通过白细胞介素-6、表皮生长因子受体、前列腺素G/H合成酶2、基质金属蛋白酶-9和原癌基因酪氨酸蛋白激酶等关键靶点,以及乙型肝炎、甲型流感、人类嗜T细胞病毒感染、人巨细胞病毒感染和新型冠状病毒肺炎等通路发挥“利咽”功效。多元统计分析和网络分析共同预测所得金果榄中的潜在活性成分包括巴马汀、蝙蝠葛任碱和古伦宾,与6个核心靶点分子对接活性较好,可作为金果榄的“利咽”Q-Marker。
结论
2
该研究初步预测了金果榄的“利咽”质量标志物,有利于建立关联药效的金果榄质量标准,为完善该药材的质量评价体系提供参考。
Objective
2
To study the potential quality marker (Q-marker) of Tinosporae Radix associated with efficacy of "relieving sore throat" based on ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS), multivariate statistical analysis (MSA), and network pharmacology.
Method
2
UPLC-Q-TOF-MS was used to identify the main chemical components in 18 batches of Tinosporae Radix. On this basis, principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) were employed to screen out the main marker components that caused differences between groups. Moreover, network pharmacology technology was applied to predict the potential "sore throat-relieving" components, and the molecular docking between the common components resulting from MSA and network pharmacology and the core targets was carried out to verify the marker components.
Result
2
A total of 17 compounds, including alkaloids, diterpenoid lactones, and sterols, were identified by UPLC-Q-TOF-MS. Five main differential components were found by MSA: Columbamine, jatrorrhizine, palmatine, menisperine, and columbin. Network pharmacology analysis yielded six compounds: tetrahydropalmatine, palmatine, menisperine, fibleucin, neoechinulin A, and columbin which were selected as potential "sore throat-relieving" components of Tinosporae Radix. They may relieve sore throat by acting on interleukin-6, epidermal growth factor receptor, prostaglandin G/H synthase 2, matrix metalloproteinase-9, proto-oncogene tyrosine-protein kinase Src and other targets, and regulating Hepatitis B, influenza A, human T-cell virus infection, human cytomegalovirus infection, coronavirus disease-2019, and other signaling pathways. The common active components in Tinosporae Radix resulting from MSA and network pharmacology analysis were palmatine, menisperine, and columbin, which had high binding affinity with six core targets and can be used as the Q-marker components of Tinosporae Radix in "relieving sore throat".
Conclusion
2
This study predicts the "sore throat-relieving" Q-marker of Tinosporae Radix, which lays a basis for developing the quality standard of Tinosporae Radix based on the efficacy and improving the quality evaluation system of the medicinal.
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