Haowen Wang , Huihui Shi , Guangyu Sheng , Ming Xue , Wenqi Huang , Xuejun Yang , Tao Yang
{"title":"元参方的化学-药理学连续体:综合成分-组织暴露相关性为糖尿病肾病靶网络提供信息","authors":"Haowen Wang , Huihui Shi , Guangyu Sheng , Ming Xue , Wenqi Huang , Xuejun Yang , Tao Yang","doi":"10.1016/j.jchromb.2025.124715","DOIUrl":null,"url":null,"abstract":"<div><div>This study focuses on uncovering the material basis and therapeutic mechanisms of the Yucan Formula (YCF) in the treatment of diabetic kidney disease (DKD). Utilizing a combination of UHPLC-Q-Exactive Orbitrap HRMS and AB Sciex Triple Quad™ 4500 LC-MS, a comprehensive qualitative and quantitative analysis of YCF's chemical constituents was performed. A total of 166 compounds were identified, primarily flavonoids (57), terpenoids (32), organic acids (25), and phenylpropanoids (15), with fragmentation patterns established for the major classes and tissue distribution characteristics investigated. In vivo distribution studies identified prototype compounds present in both blood and kidney, and through peak area screening and methodological validation, eight key compounds (Senkyunolide H, Senkyunolide I, Nobiletin, 3-n-Butylphthalide, Senkyunolide A, Methylnissolin, Ferulic Acid and p-Coumaric acid) were selected for pharmacokinetic analysis. These compounds demonstrated rapid absorption, prolonged retention time, and strong pharmacological potential. By integrating data from TCMSP, SwissTargetPrediction, and other databases, a compound–target–disease network was constructed, revealing through GO and KEGG enrichment analyses that YCF primarily exerts its effects via pathways such as AGE-RAGE, PI3K-AKT, and MAPK, thereby regulating oxidative stress, inflammation, and fibrosis. These findings highlight the multi-component, multi-target, and multi-pathway synergistic nature of YCF in the treatment of DKD. Collectively, this study elucidates the in vivo behavior and active constituents of YCF while constructing a scientific mechanism-based network, offering a systematic pharmacological model for exploring traditional Chinese medicine formulas in the management of complex diseases.</div></div>","PeriodicalId":348,"journal":{"name":"Journal of Chromatography B","volume":"1263 ","pages":"Article 124715"},"PeriodicalIF":2.8000,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The chemical-pharmacological continuum of Yucan formula: Integrated component-tissue exposure correlation informs diabetic kidney disease target network\",\"authors\":\"Haowen Wang , Huihui Shi , Guangyu Sheng , Ming Xue , Wenqi Huang , Xuejun Yang , Tao Yang\",\"doi\":\"10.1016/j.jchromb.2025.124715\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study focuses on uncovering the material basis and therapeutic mechanisms of the Yucan Formula (YCF) in the treatment of diabetic kidney disease (DKD). Utilizing a combination of UHPLC-Q-Exactive Orbitrap HRMS and AB Sciex Triple Quad™ 4500 LC-MS, a comprehensive qualitative and quantitative analysis of YCF's chemical constituents was performed. A total of 166 compounds were identified, primarily flavonoids (57), terpenoids (32), organic acids (25), and phenylpropanoids (15), with fragmentation patterns established for the major classes and tissue distribution characteristics investigated. In vivo distribution studies identified prototype compounds present in both blood and kidney, and through peak area screening and methodological validation, eight key compounds (Senkyunolide H, Senkyunolide I, Nobiletin, 3-n-Butylphthalide, Senkyunolide A, Methylnissolin, Ferulic Acid and p-Coumaric acid) were selected for pharmacokinetic analysis. These compounds demonstrated rapid absorption, prolonged retention time, and strong pharmacological potential. By integrating data from TCMSP, SwissTargetPrediction, and other databases, a compound–target–disease network was constructed, revealing through GO and KEGG enrichment analyses that YCF primarily exerts its effects via pathways such as AGE-RAGE, PI3K-AKT, and MAPK, thereby regulating oxidative stress, inflammation, and fibrosis. These findings highlight the multi-component, multi-target, and multi-pathway synergistic nature of YCF in the treatment of DKD. Collectively, this study elucidates the in vivo behavior and active constituents of YCF while constructing a scientific mechanism-based network, offering a systematic pharmacological model for exploring traditional Chinese medicine formulas in the management of complex diseases.</div></div>\",\"PeriodicalId\":348,\"journal\":{\"name\":\"Journal of Chromatography B\",\"volume\":\"1263 \",\"pages\":\"Article 124715\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2025-06-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chromatography B\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1570023225002697\",\"RegionNum\":3,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chromatography B","FirstCategoryId":"1","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1570023225002697","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
The chemical-pharmacological continuum of Yucan formula: Integrated component-tissue exposure correlation informs diabetic kidney disease target network
This study focuses on uncovering the material basis and therapeutic mechanisms of the Yucan Formula (YCF) in the treatment of diabetic kidney disease (DKD). Utilizing a combination of UHPLC-Q-Exactive Orbitrap HRMS and AB Sciex Triple Quad™ 4500 LC-MS, a comprehensive qualitative and quantitative analysis of YCF's chemical constituents was performed. A total of 166 compounds were identified, primarily flavonoids (57), terpenoids (32), organic acids (25), and phenylpropanoids (15), with fragmentation patterns established for the major classes and tissue distribution characteristics investigated. In vivo distribution studies identified prototype compounds present in both blood and kidney, and through peak area screening and methodological validation, eight key compounds (Senkyunolide H, Senkyunolide I, Nobiletin, 3-n-Butylphthalide, Senkyunolide A, Methylnissolin, Ferulic Acid and p-Coumaric acid) were selected for pharmacokinetic analysis. These compounds demonstrated rapid absorption, prolonged retention time, and strong pharmacological potential. By integrating data from TCMSP, SwissTargetPrediction, and other databases, a compound–target–disease network was constructed, revealing through GO and KEGG enrichment analyses that YCF primarily exerts its effects via pathways such as AGE-RAGE, PI3K-AKT, and MAPK, thereby regulating oxidative stress, inflammation, and fibrosis. These findings highlight the multi-component, multi-target, and multi-pathway synergistic nature of YCF in the treatment of DKD. Collectively, this study elucidates the in vivo behavior and active constituents of YCF while constructing a scientific mechanism-based network, offering a systematic pharmacological model for exploring traditional Chinese medicine formulas in the management of complex diseases.
期刊介绍:
The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis.
Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches.
Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.