Comprehensive chemical profiling of Yindan Xinnaotong soft capsule and its neuroprotective activity evaluation in vitro
Comprehensive chemical profiling of Yindan Xinnaotong soft capsule and its neuroprotective activity evaluation in vitro
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银丹心脑通软胶囊的综合化学分析及其体外神经保护活性评价
DOI：
10.1016/j.chroma.2019.05.023
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发表时间：
2019-09-13
影响因子：
4.1
通讯作者：
Gao, Wen
中科院分区：
文献类型：
--
作者：
Pang, Han-Qing;An, Hai-Ming;Gao, Wen
发现有效的组件组件（ECC）和TCM的质量控制标记仍面临着挑战，因为整体愈合系统包括数百种化合物。在这里，以8种草药构成的TCMS制剂为Yindan Xinnaotong软胶囊（YDXNT），提出了一种策略，该策略提出了整合多种色谱分析和生物活性测定的策略，以实现神经保护发现的潜在ECC。首先，将超高性能液相色谱与四极杆串联串联质谱法（UHPLC-QTOF MS）和气相色谱质量质谱法（GC-MS）用于YDXNT中化学成分的全面分析。鉴于复杂矩阵干扰使识别潜在活性化合物变得更加困难的事实，我们提出了一种以结构诊断为导向的策略来从RAW UHPLC-MS数据中删除干扰离子。提出的策略包括不同的过滤方法，包括诊断片段离子过滤（DFIF），质量缺陷过滤（MDF）和中性损失（NL）。使用此策略，总共迅速鉴定出124种化合物。其中，分别通过UHPLC串联三倍四极杆质谱法（QQQM）和GC-MS方法对30批YDXNT中的62个非挥发性和5个挥发性成分进行了量化。为了促进YDXNT的质量控制，基于绝对概念的阈值选择了候选ECC，并检查了其神经保护作用。最后，将16种化合物的组合占原始YDXNT的2.80％（WOW），被确定为其潜在的ECC，可以考虑改善YDXNT的质量标准化。 （c）2019年由Elsevier B.V.出版
Discovering effective combinational components (ECCs) and quality control markers of TCMs is still facing challenges because the holistic healing system comprises hundreds of compounds. Here, taking Yindan Xinnaotong soft capsule (YDXNT), a TCMs preparation composed by 8 herbs, as a case, a strategy that integrated multiple chromatographic analysis and bioactivity assay was proposed for potential ECCs of neuroprotection discovery. Firstly, ultra-high performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UHPLC-QTOF MS) and gas chromatography-mass spectrometry (GC-MS) were applied for comprehensive profiling of the chemical constituents in YDXNT. Given the fact that the complex matrix interference makes it more difficult to identify potentially active compounds, we proposed a structure-diagnostic ions-oriented strategy to remove interference ions from the raw UHPLC-MS data. The proposed strategy consisted of different filtering methods, including diagnostic fragment ions filtering (DFIF), mass defect filtering (MDF) and neutral loss (NL). Using this strategy, a total of 124 compounds were rapidly identified. Among them, 62 non-volatile and 5 volatile constituents in 30 batches of YDXNT were quantified by UHPLC tandem triple quadrupole mass spectrometry (QQQMS) and GC-MS methods, respectively. In order to facilitate the quality control of YDXNT, candidate ECCs were selected based on the threshold setting of absolute -contents, and their neuroprotective effects were examined. Finally, a combination of 16 compounds, accounts for 2.80% (wow) of original YDXNT, was identified as its potential ECCs, which could be considered for the improvement of quality standardization of YDXNT. (C) 2019 Published by Elsevier B.V.