{"title":"hplc - q - orbitrap HRMS结合分子网络分析炎石强心汤化学成分及潜在抗心衰成分","authors":"Wen-Chao Chen, Qin-Qin Fang, Yan Qin, Rong-Sheng Li, Qing-Guang Zhang, Wei Liu, Ping Wang, Si-Xing Zhu","doi":"10.1002/bmc.70100","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Yan-Shi-Qiang-Xin decoction (YSQXD), a traditional Chinese medicine formula, is clinically effective in treating chronic heart failure, yet its bioactive constituents remain unclear. To address this, a sensitive and reliable UHPLC-Q-Exactive Orbitrap HRMS method was established to separate and identify the chemical constituents in YSQXD and its absorbed constituents in rat serum, heart and liver following oral administration of YSQXD. With the optimized conditions, a total of 134 chemical components were tentatively identified, including 41 terpenoids, 34 flavonoids, 19 alkaloids, nine organic acids, eight amino acids, seven coumarins, six nucleotides, two sterols, and eight other compounds, based on retention times, MS/MS spectra, and literature references. Furthermore, 29, 10, 17 constituents were identified in the rat serum, heart and liver, respectively. Finally, the network pharmacology analysis based on absorbable components indicated that polyporenic acid, bavachalcone, albiflorin, biatractylolide, psoralen, angelicin, neobavaisoflavone, dictysine, isotalatizidine, and 26-hydroxyporicoic acid G exhibited high degree values, suggesting their potential as active ingredients for chronic heart failure treatment. These findings provide a comprehensive chemical profile of YSQXD and its absorbed components, offering valuable insights into its pharmacologically active substances.</p>\n </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 6","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Analysis of Chemical and Potential Anti-Heart Failure Components of Yan-Shi-Qiang-Xin Decoction by UHPLC-Q-Orbitrap HRMS Coupled With Molecular Networking\",\"authors\":\"Wen-Chao Chen, Qin-Qin Fang, Yan Qin, Rong-Sheng Li, Qing-Guang Zhang, Wei Liu, Ping Wang, Si-Xing Zhu\",\"doi\":\"10.1002/bmc.70100\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>Yan-Shi-Qiang-Xin decoction (YSQXD), a traditional Chinese medicine formula, is clinically effective in treating chronic heart failure, yet its bioactive constituents remain unclear. To address this, a sensitive and reliable UHPLC-Q-Exactive Orbitrap HRMS method was established to separate and identify the chemical constituents in YSQXD and its absorbed constituents in rat serum, heart and liver following oral administration of YSQXD. With the optimized conditions, a total of 134 chemical components were tentatively identified, including 41 terpenoids, 34 flavonoids, 19 alkaloids, nine organic acids, eight amino acids, seven coumarins, six nucleotides, two sterols, and eight other compounds, based on retention times, MS/MS spectra, and literature references. Furthermore, 29, 10, 17 constituents were identified in the rat serum, heart and liver, respectively. Finally, the network pharmacology analysis based on absorbable components indicated that polyporenic acid, bavachalcone, albiflorin, biatractylolide, psoralen, angelicin, neobavaisoflavone, dictysine, isotalatizidine, and 26-hydroxyporicoic acid G exhibited high degree values, suggesting their potential as active ingredients for chronic heart failure treatment. These findings provide a comprehensive chemical profile of YSQXD and its absorbed components, offering valuable insights into its pharmacologically active substances.</p>\\n </div>\",\"PeriodicalId\":8861,\"journal\":{\"name\":\"Biomedical Chromatography\",\"volume\":\"39 6\",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2025-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Biomedical Chromatography\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/bmc.70100\",\"RegionNum\":4,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Biomedical Chromatography","FirstCategoryId":"3","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/bmc.70100","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Analysis of Chemical and Potential Anti-Heart Failure Components of Yan-Shi-Qiang-Xin Decoction by UHPLC-Q-Orbitrap HRMS Coupled With Molecular Networking
Yan-Shi-Qiang-Xin decoction (YSQXD), a traditional Chinese medicine formula, is clinically effective in treating chronic heart failure, yet its bioactive constituents remain unclear. To address this, a sensitive and reliable UHPLC-Q-Exactive Orbitrap HRMS method was established to separate and identify the chemical constituents in YSQXD and its absorbed constituents in rat serum, heart and liver following oral administration of YSQXD. With the optimized conditions, a total of 134 chemical components were tentatively identified, including 41 terpenoids, 34 flavonoids, 19 alkaloids, nine organic acids, eight amino acids, seven coumarins, six nucleotides, two sterols, and eight other compounds, based on retention times, MS/MS spectra, and literature references. Furthermore, 29, 10, 17 constituents were identified in the rat serum, heart and liver, respectively. Finally, the network pharmacology analysis based on absorbable components indicated that polyporenic acid, bavachalcone, albiflorin, biatractylolide, psoralen, angelicin, neobavaisoflavone, dictysine, isotalatizidine, and 26-hydroxyporicoic acid G exhibited high degree values, suggesting their potential as active ingredients for chronic heart failure treatment. These findings provide a comprehensive chemical profile of YSQXD and its absorbed components, offering valuable insights into its pharmacologically active substances.
期刊介绍：
Biomedical Chromatography is devoted to the publication of original papers on the applications of chromatography and allied techniques in the biological and medical sciences. Research papers and review articles cover the methods and techniques relevant to the separation, identification and determination of substances in biochemistry, biotechnology, molecular biology, cell biology, clinical chemistry, pharmacology and related disciplines. These include the analysis of body fluids, cells and tissues, purification of biologically important compounds, pharmaco-kinetics and sequencing methods using HPLC, GC, HPLC-MS, TLC, paper chromatography, affinity chromatography, gel filtration, electrophoresis and related techniques.
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