目的基于超高效液相色谱-四极杆飞行时间质谱(ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry,UHPLC-QTOF-MS/MS)技术和中医药整合药理学研究平台(Chinese Medicine Integrated Pharmacolo...目的基于超高效液相色谱-四极杆飞行时间质谱(ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry,UHPLC-QTOF-MS/MS)技术和中医药整合药理学研究平台(Chinese Medicine Integrated Pharmacology Research Platform,TCMIP)v2.0筛选牡丹皮治疗慢性肾炎的活性成分,并初步分析其作用机制。方法采用UHPLC-QTOFMS/MS,分别在正、负离子扫描模式下对牡丹皮化学成分进行定性分析;基于TCMIP v2.0收集牡丹皮的候选靶标谱和慢性肾炎的基因集;基于TCMIP v2.0平台构建上述靶标间的蛋白间相互作用(protein-protein interaction,PPI)网络,根据网络特征值确定核心靶标;通过DAVID v6.8软件(http://david.abcc.ncifcrf.gov/)进行基因本体论(genetic ontology,GO)功能分析和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)通路富集分析,筛选与慢性肾炎相关的通路作为核心通路;圈定核心通路对应靶标的化学成分,统计每个成分的靶点数量、靶点频次、成分含量;根据统计结果确定牡丹皮治疗慢性肾炎的核心成分;利用Cytoscape 3.8.0软件构建“成分-靶标-通路”多维关联网络。结果在正、负离子模式下共鉴定了牡丹皮中73个化学成分;通过分析PPI相互作用网络获得123个核心节点;KEGG富集分析确定了17条慢性肾炎相关通路;通过靶点数量、频次和响应值综合筛选得到13个核心成分。结论牡丹皮中的13个核心成分可能通过调控核因子-κB(nuclear factor-κB,NF-κB)通路、肾素分泌通路、磷脂酰肌醇-3-羟激酶(phosphatidylinositol-3-hydroxykinase,PI3K)/蛋白激酶B(protein kinase B,Akt)通路等17条通路治疗慢性肾炎,为进一步研究牡丹皮治疗慢性肾炎的作用机制奠定了数据基础。展开更多
Phyllanthus species plants are a rich source of phenolics and widely used due to their medicinal properties. A liquid chromatography–tandem mass spectrometry(LC–MS/MS) method was developed using high-pressure liquid...Phyllanthus species plants are a rich source of phenolics and widely used due to their medicinal properties. A liquid chromatography–tandem mass spectrometry(LC–MS/MS) method was developed using high-pressure liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry(HPLC-ESI-QTOFMS/MS) for the identification and characterization of quercetin, kaempferol, ellagic acid and their derivatives in ethanolic extracts of Phyllanthus species. The chromatographic separation was carried out on Thermo Betasil C_8 column(250 mm×4.5 mm, 5 μm) using 0.1% formic acid in water and 0.1% formic acid in methanol as the mobile phase. The identification of diagnostic fragment ions and optimization of collision energies were carried out using 21 reference standards. Totally 51 compounds were identified which include 21 compounds identified and characterized unambiguously by comparison with their authentic standards and the remaining 30 were tentatively identified and characterized in ethanolic extracts of P. emblica, P. fraternus, P. amarus and P.niruri.展开更多
文摘目的基于超高效液相色谱-四极杆飞行时间质谱(ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry,UHPLC-QTOF-MS/MS)技术和中医药整合药理学研究平台(Chinese Medicine Integrated Pharmacology Research Platform,TCMIP)v2.0筛选牡丹皮治疗慢性肾炎的活性成分,并初步分析其作用机制。方法采用UHPLC-QTOFMS/MS,分别在正、负离子扫描模式下对牡丹皮化学成分进行定性分析;基于TCMIP v2.0收集牡丹皮的候选靶标谱和慢性肾炎的基因集;基于TCMIP v2.0平台构建上述靶标间的蛋白间相互作用(protein-protein interaction,PPI)网络,根据网络特征值确定核心靶标;通过DAVID v6.8软件(http://david.abcc.ncifcrf.gov/)进行基因本体论(genetic ontology,GO)功能分析和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)通路富集分析,筛选与慢性肾炎相关的通路作为核心通路;圈定核心通路对应靶标的化学成分,统计每个成分的靶点数量、靶点频次、成分含量;根据统计结果确定牡丹皮治疗慢性肾炎的核心成分;利用Cytoscape 3.8.0软件构建“成分-靶标-通路”多维关联网络。结果在正、负离子模式下共鉴定了牡丹皮中73个化学成分;通过分析PPI相互作用网络获得123个核心节点;KEGG富集分析确定了17条慢性肾炎相关通路;通过靶点数量、频次和响应值综合筛选得到13个核心成分。结论牡丹皮中的13个核心成分可能通过调控核因子-κB(nuclear factor-κB,NF-κB)通路、肾素分泌通路、磷脂酰肌醇-3-羟激酶(phosphatidylinositol-3-hydroxykinase,PI3K)/蛋白激酶B(protein kinase B,Akt)通路等17条通路治疗慢性肾炎,为进一步研究牡丹皮治疗慢性肾炎的作用机制奠定了数据基础。
基金CSIR, New Delhi, India, for financial supportBK for NMPB grant GO/UP/03/09
文摘Phyllanthus species plants are a rich source of phenolics and widely used due to their medicinal properties. A liquid chromatography–tandem mass spectrometry(LC–MS/MS) method was developed using high-pressure liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry(HPLC-ESI-QTOFMS/MS) for the identification and characterization of quercetin, kaempferol, ellagic acid and their derivatives in ethanolic extracts of Phyllanthus species. The chromatographic separation was carried out on Thermo Betasil C_8 column(250 mm×4.5 mm, 5 μm) using 0.1% formic acid in water and 0.1% formic acid in methanol as the mobile phase. The identification of diagnostic fragment ions and optimization of collision energies were carried out using 21 reference standards. Totally 51 compounds were identified which include 21 compounds identified and characterized unambiguously by comparison with their authentic standards and the remaining 30 were tentatively identified and characterized in ethanolic extracts of P. emblica, P. fraternus, P. amarus and P.niruri.
