基于成分可检测性的网络药理学关键成分筛选中减少同质化现象的策略

IF 1.8 3区 化学 Q4 BIOCHEMICAL RESEARCH METHODS
Kaiye Peng, Sang Xu, Minpeng Li, Wei Li, Yun Zou, Mingxin Guo, Xia Wu
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引用次数: 0

摘要

背景中药(TCM)的成分复杂多样,通常使用TCM系统药理学(TCMSP)数据库进行鉴定。然而,该数据库中的成分具有明显的同质性,限制了对中药成分多样性和生物活性的全面认识。因此,液相色谱-质谱法(LC-MS)已成为中药成分精确鉴定的重要工具。方法采用液相色谱-质谱法对某中药进行成分鉴定。然后将识别的成分与TCMSP数据库中的成分数据进行比较。随后进行了组分的网络药理学预测。结果对甘脉大燥汤、八珍颗粒、少药肝燥汤、紫血散四种中药方剂进行了分析,发现LC-MS鉴定结果与TCMSP数据库中的成分存在显著差异。发现数据库组件是高度同构的。结论本研究强调了LC-MS在中药成分分析中的关键作用,特别是在解决数据库同质性问题方面。LC-MS技术的使用提高了成分鉴定的精度,简化了潜在药效学成分的鉴定,从而推动中医药走向更现代的地位。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Strategies for Reducing the Homogenization Phenomenon in the Screening of Key Components in Network Pharmacology Based on the Detectability of Components

Background

The ingredients of traditional Chinese medicine (TCM) are complex and diverse and are often identified using the TCM systems pharmacology (TCMSP) database. However, the ingredients in this database exhibit significant homogeneity, which limits the comprehensive understanding of TCM's ingredient diversity and biological activity. Consequently, liquid chromatography–mass spectrometry (LC–MS) has become a key tool for the precise identification of TCM components.

Methods

In this study, the LC–MS was used to identify the components of a TCM herb. The identified components were then compared with the component data in the TCMSP database. A network pharmacological prediction of the components was subsequently performed.

Results

An analysis of the four herb formula prescriptions (Ganmai Dazao decoction, Bazhen granule, Shaoyao Gancao decoction, and Zixue san) was conducted, revealing significant discrepancies between the LC–MS identification results and the components in the TCMSP database. The database components were found to be highly homogeneous.

Conclusion

This study underscores the pivotal function of LC–MS in the analysis of components of TCM, particularly in addressing issues of database homogeneity. The employment of LC–MS technology enhances the precision of ingredient identification and streamlines the identification of potential pharmacodynamic ingredients, thereby propelling TCM toward a more contemporary standing.

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来源期刊
CiteScore
4.10
自引率
5.00%
发文量
219
审稿时长
2.6 months
期刊介绍: Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.
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