Based on the LC-ESI/MSn technique, the four pairs of isomers of psoralen and isopsoralen, imperatorin and isoimperatorin, neohesperidin and hesperidin, naringin and narirutin were distinguished mainly by comparison of...Based on the LC-ESI/MSn technique, the four pairs of isomers of psoralen and isopsoralen, imperatorin and isoimperatorin, neohesperidin and hesperidin, naringin and narirutin were distinguished mainly by comparison of the relative abundances of their major fragment ions. Because of the effect of the hydrogen on the C8 of psoralen, the intensity of the fragment ion formed by the loss of CO2 was relatively increased. By comparing the abundance of the product ions formed by the loss of CO and 2CO, the isomers of psoralen and isopsoralen could be distinguished. This method can also be used to distinguish the isomers of imperatorin and isoimperatorin. Because of the different con- nected position between glucose and rhamnose, in the mass spectrum of neohesperidin, the relative abundances of ions at m/z 489 and 343 generated by the ring-cross cleavage of glycan were more than 10%, while in the mass spec- trum of hesperidin, they were all less than 1%. This approach can also be used to distinguish the isomers ofnaringin and narirutin. Although the fragmentation pathways were similar, according to the tiny difference of structure, the change of relative intensity of main fragment ions could be observed and it could be used to distinguish some isomers more accurately and quickly.展开更多
研究中医药干预银屑病领域近十年的发展现状,分析与总结研究热点与发展趋势,为该领域学者提供参考资料。以“中医药干预银屑病”国内外中、英文文献为研究对象,基于文献计量学开展发文趋势、发文内容和来源出版物等统计分析;采用CiteSp...研究中医药干预银屑病领域近十年的发展现状,分析与总结研究热点与发展趋势,为该领域学者提供参考资料。以“中医药干预银屑病”国内外中、英文文献为研究对象,基于文献计量学开展发文趋势、发文内容和来源出版物等统计分析;采用CiteSpace知识图谱分析该领域的科研合作关系、关键词共现等。共纳入中文文献2993篇、英文285篇。发文趋势方面,英文文献年发文量不多但有明显的上升趋势,而中文则是波动式上涨且趋于平缓。发文内容方面,中文文献按照学科划分,“中医学”排名第一(2415篇);英文按照研究方向划分,“药理学与药学”发文量最多(87篇)。文献来源方面,发文最多的中、英文期刊分别为《中华中医药杂志》《Evidence Based Complementary and Alternative Medicine》。国内学位论文最多的发文机构是北京中医药大学(99篇)。中、英文文献发文量最多的作者分别是李斌(上海中医药大学附属岳阳中西医结合医院)、LU Chuan-jian(广东省中医院)。经CiteSpace的科研合作网络分析发现,该领域共有4个较成熟、稳定的核心团队,但不同团队之间的合作强度偏弱。关键词共现知识图谱分析,该领域当前热点关键词为银屑病、血热证、血瘀证、火针、血燥型、咪喹莫特、中药药浴、病因病机、细胞因子、走罐疗法等。综上,近十年我国学者在中医药防治银屑病领域开展了积极的探索与研究,整体发展态势良好,研究的广度和深度在不断延伸。建议相关研究可以不受学科限制、争取多学科交叉融合。展开更多
Kudiezi injection has been used extensively in the treatment of cerebrovascular and cardiovascular diseases. However, its therapeutic effects and underlying mechanism of action are not fully understood. The aim of the...Kudiezi injection has been used extensively in the treatment of cerebrovascular and cardiovascular diseases. However, its therapeutic effects and underlying mechanism of action are not fully understood. The aim of the present study was to clarify the protective mechanisms of Kudiezi injection on cerebral ischemic injury, using metabolomics methods. Middle cerebral artery occlusion(MCAO) was introduced in rats to build the cerebral ischemic damage. UHPLC-LTQ-Orbitrap-based analytical method was established for analysis of the metabolites. The raw mass data of all samples were normalized with Sieve 2.2 software and then introduced to orthogonal partial least squares discriminant analysis(OPLS-DA) model. Finally, 23 metabolites in plasma(15 were tentatively identified) were chosen as potential biomarkers, according to accurate mass measurements(< 5 ppm), MS/MS fragmentation patterns, and diagnostic product ions. Furthermore, on the basis of metabolic pathway analysis via metabolomics pathway analysis(Met PA), we first discovered that the protection mechanism in anti-ischemic cerebral reperfusion damage of Kudiezi injection was possibly related to the biosynthesis of phenylalanine, tyrosine, and tryptophan. The present study provided a useful approach for exploring the mechanism of ischemic stroke and evaluating the efficacy of Kudiezi injection or other traditional medicines.展开更多
Sesquiterpene lactones are considered as the major active compounds in Kudiezi injection in virtue of their special structures and activities. Herein, an analytical method was developed for rapid screening and identif...Sesquiterpene lactones are considered as the major active compounds in Kudiezi injection in virtue of their special structures and activities. Herein, an analytical method was developed for rapid screening and identification of sesquiterpene lactones in Kudiezi injection using high-performance liquid chromatography coupled with linear ion trap-orbitrap mass spectrometry(HPLC-LTQ-Orbitrap) in negative ion mode. First, two sesquiterpene lactone reference standards were analyzed to obtain their characteristic ESI-MS/MS fragmentation patterns. Second, based on extracted ion chromatography(EIC) data-mining method and characteristic fragmentation pathways analysis, sesquiterpene lactones in Kudiezi injection were rapidly screened and identified. Finally, an important parameter Clog P was adopted to discriminate the isomers of sesquiterpene lactones. As a result, 50 sesquiterpene lactones were characterized, including 9 sesquiterpene lactone aglycones, 39 sesquiterpene lactone glycosides, and 2 amino acid-sesquiterpene lactone conjugates. Among them, 13 compounds were tentatively identified as new compounds. The results demonstrated that the established method would be a rapid, effective analytical tool for screening and identification of sesquiterpene lactones in the complex system of natural medicines.展开更多
Liriope(Liliaceae) species have been used as folk medicines in Asian countries since ancient times. From Liriope plants(8 species), a total of 132 compounds(except polysaccharides) have been isolated and identified, i...Liriope(Liliaceae) species have been used as folk medicines in Asian countries since ancient times. From Liriope plants(8 species), a total of 132 compounds(except polysaccharides) have been isolated and identified, including steroidal saponins, flavonoids, phenols, and eudesmane sesquiterpenoids. The crude extracts or monomeric compounds from this genus have been shown to exhibit anti-tumor, anti-diabetic, anti-inflammatory, and neuroprotective activities. The present review summarizes the results on phytochemical and biological studies on Liriope plants. The chemotaxonomy of this genus is also discussed.展开更多
基金Supported by the National Natural Science Foundation of China(Nos.30670212 and 30870262)
文摘Based on the LC-ESI/MSn technique, the four pairs of isomers of psoralen and isopsoralen, imperatorin and isoimperatorin, neohesperidin and hesperidin, naringin and narirutin were distinguished mainly by comparison of the relative abundances of their major fragment ions. Because of the effect of the hydrogen on the C8 of psoralen, the intensity of the fragment ion formed by the loss of CO2 was relatively increased. By comparing the abundance of the product ions formed by the loss of CO and 2CO, the isomers of psoralen and isopsoralen could be distinguished. This method can also be used to distinguish the isomers of imperatorin and isoimperatorin. Because of the different con- nected position between glucose and rhamnose, in the mass spectrum of neohesperidin, the relative abundances of ions at m/z 489 and 343 generated by the ring-cross cleavage of glycan were more than 10%, while in the mass spec- trum of hesperidin, they were all less than 1%. This approach can also be used to distinguish the isomers ofnaringin and narirutin. Although the fragmentation pathways were similar, according to the tiny difference of structure, the change of relative intensity of main fragment ions could be observed and it could be used to distinguish some isomers more accurately and quickly.
文摘研究中医药干预银屑病领域近十年的发展现状,分析与总结研究热点与发展趋势,为该领域学者提供参考资料。以“中医药干预银屑病”国内外中、英文文献为研究对象,基于文献计量学开展发文趋势、发文内容和来源出版物等统计分析;采用CiteSpace知识图谱分析该领域的科研合作关系、关键词共现等。共纳入中文文献2993篇、英文285篇。发文趋势方面,英文文献年发文量不多但有明显的上升趋势,而中文则是波动式上涨且趋于平缓。发文内容方面,中文文献按照学科划分,“中医学”排名第一(2415篇);英文按照研究方向划分,“药理学与药学”发文量最多(87篇)。文献来源方面,发文最多的中、英文期刊分别为《中华中医药杂志》《Evidence Based Complementary and Alternative Medicine》。国内学位论文最多的发文机构是北京中医药大学(99篇)。中、英文文献发文量最多的作者分别是李斌(上海中医药大学附属岳阳中西医结合医院)、LU Chuan-jian(广东省中医院)。经CiteSpace的科研合作网络分析发现,该领域共有4个较成熟、稳定的核心团队,但不同团队之间的合作强度偏弱。关键词共现知识图谱分析,该领域当前热点关键词为银屑病、血热证、血瘀证、火针、血燥型、咪喹莫特、中药药浴、病因病机、细胞因子、走罐疗法等。综上,近十年我国学者在中医药防治银屑病领域开展了积极的探索与研究,整体发展态势良好,研究的广度和深度在不断延伸。建议相关研究可以不受学科限制、争取多学科交叉融合。
文摘利用网络药理学和分子对接技术从整体层面阐释黄精治疗动脉粥样硬化(atherosclerosis,AS)的作用机制。通过中药化学成分数据库(TCMD)和中药系统药理学数据库(TCMSP)收集黄精化学成分并利用PharmaDB、Swiss TargetPrediction预测其作用靶点集,借助OMIM、DisGeNET及NCBI基因数据库检索AS相关靶点集。取两靶点集交集获取黄精治疗AS的潜在作用靶点,基于STRING平台构建交集靶点相互作用网络并在Cytoscape中进行可视化分析。根据拓扑参数筛选黄精治疗AS的关键靶点,采用Clue GO对交集靶点进行GO和KEGG富集分析。最后利用Discovery Studio 4.0对关键靶点进行分子对接验证。结果筛选获得45个黄精活性成分和51个黄精治疗AS的潜在作用靶点,拓扑分析结果包含的5个关键靶点为血清白蛋白、丝裂原活化蛋白激酶3、丝裂原活化蛋白激酶1、原癌基因酪氨酸蛋白激酶Src和基质金属蛋白酶-9。GO富集分析得到131个GO条目,主要涉及类固醇激素受体的活性、细胞对类固醇激素刺激的反应和磷脂酰肌醇-3激酶信号通路等生命过程。KEGG通路分析得到37条主要信号通路,主要涉及过氧化物酶体增殖激活受体信号通路、血小板激活信号通路、血管内皮生长因子信号通路、低氧诱导因子信号通路和黏着连接信号通路。分子对接结果显示,黄精成分与潜在关键靶点具有较好的结合活性。本研究从网络药理学的角度初步阐释了黄精治疗动脉粥样硬化的作用机制,旨在为其进一步的临床研究提供科学依据。
基金supported by the Research Platform for Quality Standard of TCMs and Information System Building(No.2009ZX09308-004)National S&T Major Project-Created Major New Drugs Projects(No.2010ZX09502-002)~~
基金supported by Beijing Nova Program(No.Z171100001117029)the National Natural Science Foundation of China(No.81503244)
文摘Kudiezi injection has been used extensively in the treatment of cerebrovascular and cardiovascular diseases. However, its therapeutic effects and underlying mechanism of action are not fully understood. The aim of the present study was to clarify the protective mechanisms of Kudiezi injection on cerebral ischemic injury, using metabolomics methods. Middle cerebral artery occlusion(MCAO) was introduced in rats to build the cerebral ischemic damage. UHPLC-LTQ-Orbitrap-based analytical method was established for analysis of the metabolites. The raw mass data of all samples were normalized with Sieve 2.2 software and then introduced to orthogonal partial least squares discriminant analysis(OPLS-DA) model. Finally, 23 metabolites in plasma(15 were tentatively identified) were chosen as potential biomarkers, according to accurate mass measurements(< 5 ppm), MS/MS fragmentation patterns, and diagnostic product ions. Furthermore, on the basis of metabolic pathway analysis via metabolomics pathway analysis(Met PA), we first discovered that the protection mechanism in anti-ischemic cerebral reperfusion damage of Kudiezi injection was possibly related to the biosynthesis of phenylalanine, tyrosine, and tryptophan. The present study provided a useful approach for exploring the mechanism of ischemic stroke and evaluating the efficacy of Kudiezi injection or other traditional medicines.
基金supported by Beijing Nova Program(No.Z171100001117029)the National Natural Science Foundation of China(No.81503244)
文摘Sesquiterpene lactones are considered as the major active compounds in Kudiezi injection in virtue of their special structures and activities. Herein, an analytical method was developed for rapid screening and identification of sesquiterpene lactones in Kudiezi injection using high-performance liquid chromatography coupled with linear ion trap-orbitrap mass spectrometry(HPLC-LTQ-Orbitrap) in negative ion mode. First, two sesquiterpene lactone reference standards were analyzed to obtain their characteristic ESI-MS/MS fragmentation patterns. Second, based on extracted ion chromatography(EIC) data-mining method and characteristic fragmentation pathways analysis, sesquiterpene lactones in Kudiezi injection were rapidly screened and identified. Finally, an important parameter Clog P was adopted to discriminate the isomers of sesquiterpene lactones. As a result, 50 sesquiterpene lactones were characterized, including 9 sesquiterpene lactone aglycones, 39 sesquiterpene lactone glycosides, and 2 amino acid-sesquiterpene lactone conjugates. Among them, 13 compounds were tentatively identified as new compounds. The results demonstrated that the established method would be a rapid, effective analytical tool for screening and identification of sesquiterpene lactones in the complex system of natural medicines.
基金supported by the National Natural Science Foundation of China(Nos.81303206 and 81303189)
文摘Liriope(Liliaceae) species have been used as folk medicines in Asian countries since ancient times. From Liriope plants(8 species), a total of 132 compounds(except polysaccharides) have been isolated and identified, including steroidal saponins, flavonoids, phenols, and eudesmane sesquiterpenoids. The crude extracts or monomeric compounds from this genus have been shown to exhibit anti-tumor, anti-diabetic, anti-inflammatory, and neuroprotective activities. The present review summarizes the results on phytochemical and biological studies on Liriope plants. The chemotaxonomy of this genus is also discussed.
