目的:基于超高效液相色谱-四级杆飞行时间串联质谱(Ultra high performance liquid chromatography-Quadrupole time of flight mass spectrometry, UPLC-QTOF-MS)技术和网络药理学探究绞股蓝改善阿尔兹海默病的化学成分及其作用机制。...目的:基于超高效液相色谱-四级杆飞行时间串联质谱(Ultra high performance liquid chromatography-Quadrupole time of flight mass spectrometry, UPLC-QTOF-MS)技术和网络药理学探究绞股蓝改善阿尔兹海默病的化学成分及其作用机制。方法:采用UPLC-QTOF-MS技术鉴定绞股蓝中的化学成分。采用SwissTargetPredection、GeneCards、OMIM数据库获取成分靶点和疾病靶点,使用STRING数据库构建关键靶点蛋白相互作用,利用Cytoscape软件构建核心靶点基因网络图和成分-靶点-通路图,通过DAVID数据库进行GO和KEGG通路富集分析。结果:从绞股蓝中共计鉴定出72个皂苷类成分。网络药理学分析表明化合物Gypenoside LI、damulin A、Gypenoside LVII等具有潜在防治阿尔茨海默病的作用,且主要与炎症相关的PI3K-Akt信号通路、MAPK信号通路等有关。结论:绞股蓝皂苷可能通过抑制神经炎症发挥防治阿尔茨海默病的作用。展开更多
采用UHPLC-QTOF-MS技术分析大鼠灌胃给予止咳宝片后的血浆生物样本。首先,在正、负离子模式下分别全扫描,通过信息依赖采集触发子离子的采集,每一循环采集8个最强峰的二级质谱图。采集时进行,实时多重质量亏损和动态背景扣除。其次,应用...采用UHPLC-QTOF-MS技术分析大鼠灌胃给予止咳宝片后的血浆生物样本。首先,在正、负离子模式下分别全扫描,通过信息依赖采集触发子离子的采集,每一循环采集8个最强峰的二级质谱图。采集时进行,实时多重质量亏损和动态背景扣除。其次,应用Metabolite Pilot 2.0软件对止咳宝片君药罂粟壳,配伍药物甘草中主要化学成分为目标建立分析模型,分析各成分的保留时间、精确分子质量、二级质谱信息,对代谢产物进行解析。鉴定5个阿片类生物碱、甘草苷和甘草酸,及其相关代谢产物31个。5种阿片类生物碱、甘草苷和甘草酸在大鼠体内的代谢途径包括葡萄糖醛酸化、硫酸化、脱甲基化、脱氨基甲基后羧基化、水解等。本文从定性角度对复方中药制剂中主要活性成分的体内代谢开展研究,并与已有单一化学药物代谢途径比较,为进一步阐明止咳宝片或含罂粟壳、甘草类复方中药制剂体内代谢过程提供基础。展开更多
Abstract： In the present study, we established an ultra performance liquid chromatography coupled with time-of-flight mass spectrometry （UPLC-QTOF-MSE） method to simultaneously quantify 33 components in Ginkgo bilo...Abstract： In the present study, we established an ultra performance liquid chromatography coupled with time-of-flight mass spectrometry （UPLC-QTOF-MSE） method to simultaneously quantify 33 components in Ginkgo biloba leaf extracts （GBEs）, including 17 flavonol glycosides, five terpene trilactones （TTLs）, four polyphenols and seven carboxylic acids. This optimized method was successfully applied to analyze the explicit compositions of GBE samples collected from different places. Furthermore, the data were processed through unsupervised principal component analysis （PCA） and supervised orthogonal partial least squared discrimination analysis （OPLS-DA） to evaluate the quality and compare the differences between the samples according to the contents of the 33 chemical constituents. Bilobalide, protocatechuic acid, shikimic acid, quinic acid, ginkgolide B, ginkgolide J, kaempferol-3-O-rutinoside, isorhamnetin-3-O-rutinoside, quercetin-3-O-ct-L-rhamnopyranocyl-2＂-（6＇＂-p-coumaroyl）-β-D-glucoside and rutin were recognized as characteristic chemical markers that contributed most to control the quality of GBEs. Based on the fact that GBEs should be standardized with the characteristic components as quality control chemical markers, it is most important to maintain the quality of GBEs stable and reliable, and this method also provided a good strategy to further rectify and standardize the GBEs market.展开更多
文摘目的:基于超高效液相色谱-四级杆飞行时间串联质谱(Ultra high performance liquid chromatography-Quadrupole time of flight mass spectrometry, UPLC-QTOF-MS)技术和网络药理学探究绞股蓝改善阿尔兹海默病的化学成分及其作用机制。方法:采用UPLC-QTOF-MS技术鉴定绞股蓝中的化学成分。采用SwissTargetPredection、GeneCards、OMIM数据库获取成分靶点和疾病靶点,使用STRING数据库构建关键靶点蛋白相互作用,利用Cytoscape软件构建核心靶点基因网络图和成分-靶点-通路图,通过DAVID数据库进行GO和KEGG通路富集分析。结果:从绞股蓝中共计鉴定出72个皂苷类成分。网络药理学分析表明化合物Gypenoside LI、damulin A、Gypenoside LVII等具有潜在防治阿尔茨海默病的作用,且主要与炎症相关的PI3K-Akt信号通路、MAPK信号通路等有关。结论:绞股蓝皂苷可能通过抑制神经炎症发挥防治阿尔茨海默病的作用。
文摘采用UHPLC-QTOF-MS技术分析大鼠灌胃给予止咳宝片后的血浆生物样本。首先,在正、负离子模式下分别全扫描,通过信息依赖采集触发子离子的采集,每一循环采集8个最强峰的二级质谱图。采集时进行,实时多重质量亏损和动态背景扣除。其次,应用Metabolite Pilot 2.0软件对止咳宝片君药罂粟壳,配伍药物甘草中主要化学成分为目标建立分析模型,分析各成分的保留时间、精确分子质量、二级质谱信息,对代谢产物进行解析。鉴定5个阿片类生物碱、甘草苷和甘草酸,及其相关代谢产物31个。5种阿片类生物碱、甘草苷和甘草酸在大鼠体内的代谢途径包括葡萄糖醛酸化、硫酸化、脱甲基化、脱氨基甲基后羧基化、水解等。本文从定性角度对复方中药制剂中主要活性成分的体内代谢开展研究,并与已有单一化学药物代谢途径比较,为进一步阐明止咳宝片或含罂粟壳、甘草类复方中药制剂体内代谢过程提供基础。
文摘Abstract： In the present study, we established an ultra performance liquid chromatography coupled with time-of-flight mass spectrometry （UPLC-QTOF-MSE） method to simultaneously quantify 33 components in Ginkgo biloba leaf extracts （GBEs）, including 17 flavonol glycosides, five terpene trilactones （TTLs）, four polyphenols and seven carboxylic acids. This optimized method was successfully applied to analyze the explicit compositions of GBE samples collected from different places. Furthermore, the data were processed through unsupervised principal component analysis （PCA） and supervised orthogonal partial least squared discrimination analysis （OPLS-DA） to evaluate the quality and compare the differences between the samples according to the contents of the 33 chemical constituents. Bilobalide, protocatechuic acid, shikimic acid, quinic acid, ginkgolide B, ginkgolide J, kaempferol-3-O-rutinoside, isorhamnetin-3-O-rutinoside, quercetin-3-O-ct-L-rhamnopyranocyl-2＂-（6＇＂-p-coumaroyl）-β-D-glucoside and rutin were recognized as characteristic chemical markers that contributed most to control the quality of GBEs. Based on the fact that GBEs should be standardized with the characteristic components as quality control chemical markers, it is most important to maintain the quality of GBEs stable and reliable, and this method also provided a good strategy to further rectify and standardize the GBEs market.
