Biomedical Chromatography最新文献_第8页

LC–MS/MS Quantification and Solvent-Exposure Modeling Reveal a Mismatch Between Linker Exposure and Payload Release in Wild-Type Trastuzumab-VC-PABC-MMAE in Rat Plasma LC-MS /MS定量和溶剂暴露模型揭示了大鼠血浆中野生型曲妥珠单抗vc - pbc - mmae的连接物暴露和有效载荷释放之间的不匹配

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-20 DOI: 10.1002/bmc.70558

Kazutoshi Takahashi, Shunsuke Yamazaki, Yutaka Matsuda

{"title":"LC–MS/MS Quantification and Solvent-Exposure Modeling Reveal a Mismatch Between Linker Exposure and Payload Release in Wild-Type Trastuzumab-VC-PABC-MMAE in Rat Plasma","authors":"Kazutoshi Takahashi, Shunsuke Yamazaki, Yutaka Matsuda","doi":"10.1002/bmc.70558","DOIUrl":"https://doi.org/10.1002/bmc.70558","url":null,"abstract":"<div>\u0000 \u0000 <p>Free monomethyl auristatin E (MMAE) released from trastuzumab–valine-citrulline–p-aminobenzyl carbamate (VC-PABC)–MMAE conjugates was quantified by liquid chromatography–tandem mass spectrometry (LC–MS/MS) after incubation in rat plasma at 37°C for 4 days. A wild-type conjugate prepared by maleimide–thiol interchain cysteine conjugation showed 4% ± 3.5% release (<i>n</i> = 3 for each), whereas a Lys188-selective comparator prepared by click chemistry after lipoic acid ligase A–mediated modification showed 4% ± 3.5% release. To examine whether this difference could be explained by linker-payload exposure, molecular dynamics simulations were performed, and solvent-accessible surface areas (SASA) were calculated for representative wild-type interchain cysteine environments and for the Lys188 conjugate. Mean SASA values for the wild-type models were 1132–1293 Å<sup>2</sup>, all lower than that of the Lys188 model (1524 Å<sup>2</sup>). Thus, the more stable comparator exhibited the highest modeled exposure. This mismatch between modeled exposure and observed release argues against a simple exposure-driven cleavage mechanism as the primary explanation for the wild-type behavior. Instead, the results suggest that the observed payload release is influenced by bond chemistry in addition to linker exposure.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148533984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Huang'e Capsule Alleviates Experimental Autoimmune Prostatitis in Rats Through Regulation of Linoleic Acid and Arachidonic Acid Metabolism by Metabolomics 黄娥胶囊通过代谢组学研究调节亚油酸和花生四烯酸代谢减轻实验性自身免疫性前列腺炎。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-19 DOI: 10.1002/bmc.70566

Xiaoshan Hu, Xiang Hu, Weijun Liu, Zepeng Wu, Hang Huang, Yi Tao

{"title":"Huang'e Capsule Alleviates Experimental Autoimmune Prostatitis in Rats Through Regulation of Linoleic Acid and Arachidonic Acid Metabolism by Metabolomics","authors":"Xiaoshan Hu, Xiang Hu, Weijun Liu, Zepeng Wu, Hang Huang, Yi Tao","doi":"10.1002/bmc.70566","DOIUrl":"10.1002/bmc.70566","url":null,"abstract":"<div>\u0000 \u0000 <p>Huang'e capsule (HEC) is used for prostatitis, but its mechanism remains unclear. This study investigated HEC effects on experimental autoimmune prostatitis (EAP) in rats and the underlying metabolic pathways. EAP was induced by intraprostatic injection of prostate homogenate with Freund's adjuvant, followed by 21-day low, medium, high doses of HEC treatment. Serum and prostate interleukin-6 (IL-6), interleukin-8 (IL-8), interleukin-1 beta (IL-1β), and tumor necrosis factor-alpha (TNF-α) levels were measured by enzyme-linked immunosorbent assay (ELISA), histopathology assessed, and serum metabolomics performed using ultra-high-performance liquid chromatography coupled with quadrupole-exactive orbitrap tandem mass spectrometry (UHPLC-Q-Exactive Orbitrap MS/MS). HEC dose-dependently reduced pro-inflammatory cytokine levels, restored glandular architecture, and decreased inflammatory infiltration. Metabolomics identified 21 differential metabolites between model and HEC-treated groups. Pathway enrichment showed linoleic acid metabolism as the most affected, followed by arachidonic acid metabolism, bile acid biosynthesis, and fatty acid β-oxidation. Pearson correlation revealed that arachidonic acid and related fatty acids positively correlated with cytokines, whereas cholic and hyocholic acids showed negative correlations. In conclusion, HEC alleviates prostatitis primarily by regulating linoleic and arachidonic acid metabolism, suppressing pro-inflammatory eicosanoid production, with additional contributions from bile acid and fatty acid β-oxidation pathways. These findings provide metabolomic evidence for HEC's clinical use.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148519891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development and Validation of an LC–MS/MS Method for the Quantification of HY-078020 in Human Plasma Using Liquid–Liquid Extraction and Its Application to Human Pharmacokinetic Study 液-液萃取法测定人血浆中HY-078020的LC-MS/MS方法的建立与验证及其在人药动学研究中的应用

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-19 DOI: 10.1002/bmc.70549

Yaqi Wang, Meiling Zhang, Yazhu Cui, Li Shao, Linying Meng, Mengqin Chen, Mengjie An, Zhijie Shen, Zhaoxing Chu

{"title":"Development and Validation of an LC–MS/MS Method for the Quantification of HY-078020 in Human Plasma Using Liquid–Liquid Extraction and Its Application to Human Pharmacokinetic Study","authors":"Yaqi Wang, Meiling Zhang, Yazhu Cui, Li Shao, Linying Meng, Mengqin Chen, Mengjie An, Zhijie Shen, Zhaoxing Chu","doi":"10.1002/bmc.70549","DOIUrl":"10.1002/bmc.70549","url":null,"abstract":"<div>\u0000 \u0000 <p>A sensitive and practical liquid chromatography–tandem mass spectrometry (LC–MS/MS) method was developed and validated for the quantification of HY-078020 in human plasma. Plasma samples (100 μL) were processed by liquid–liquid extraction with methyl <i>tert</i>-butyl ether using HY-078020-d6 as the internal standard. Chromatographic separation was achieved on a Phenomenex Luna C8(2) column with gradient elution, and detection was performed in positive electrospray ionization mode using multiple reaction monitoring. The monitored transitions were m/z 515.2 → 282.3 for HY-078020 and m/z 521.1 → 282.3 for the internal standard. The assay was validated over the concentration range of 4.0–2400 ng/mL with a lower limit of quantification of 4.0 ng/mL. The method showed acceptable selectivity, accuracy, precision, matrix effect, extraction recovery, carryover, and stability in accordance with current bioanalytical validation criteria. Intra- and interbatch precision was within 9.03% and 5.46%, respectively, and the analyte remained stable under benchtop, freeze–thaw, processed-sample, reinjection, and long-term storage conditions. With its small plasma volume requirement, broad calibration range, low carryover, and robust stability, this method is suitable for routine quantification of HY-078020 in human plasma and may support future pharmacokinetic studies.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148519894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

LC-MS/MS Method for Quantifying the Alterations of Four Neurotransmitters in Plasma From Insomnia Patients Treated With Zhibai Anshen Oral Liquid LC-MS/MS法测定止白安神口服液治疗失眠症患者血浆中4种神经递质的变化。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-17 DOI: 10.1002/bmc.70551

Jingjie Xu, Yaqin Chu, Timothy Levin, Huanchen Li, Zhijun Liu, Lili Cui, Jianpeng Jiao, Shouhong Gao, Wansheng Chen

{"title":"LC-MS/MS Method for Quantifying the Alterations of Four Neurotransmitters in Plasma From Insomnia Patients Treated With Zhibai Anshen Oral Liquid","authors":"Jingjie Xu, Yaqin Chu, Timothy Levin, Huanchen Li, Zhijun Liu, Lili Cui, Jianpeng Jiao, Shouhong Gao, Wansheng Chen","doi":"10.1002/bmc.70551","DOIUrl":"10.1002/bmc.70551","url":null,"abstract":"<div>\u0000 \u0000 <p>Zhibai Anshen (ZbAs) oral liquid is employed to alleviate insomnia. However, the neurotransmitters in this treatment are insufficiently investigated. This study aimed to establish a method based on liquid chromatography–tandem mass spectrometry (LC-MS/MS) for determination of 5-hydroxytryptamine (5-HT), dopamine (DA), epinephrine (E), and norepinephrine (NE) in the plasma of patients treated with ZbAs. Plasma samples were processed by protein precipitation with acetonitrile containing internal standard linezolid. Insomnia patients were enrolled and treated with ZbAs, and the plasma samples were collected at baseline and end of treatment. The Pittsburgh Sleep Quality Index (PSQI) was retrieved and the concentrations of neurotransmitters were quantified. The method was successfully developed and validated. It was successfully applied to analyzing plasma samples from 51 patients, revealing a significantly increased level of 5-HT and obviously decreased levels of NE and DA after treatment, while the E kept steady against ZbAs. The PSQI significantly decreased after ZbAs treatment (21.63 ± 6.94 vs. 16.44 ± 7.17, <i>p</i> = 0.0006). A rapid, simple, and sensitive LC-MS/MS method for the determination of four neurotransmitters was established. ZbAs showed satisfying efficacy in treating insomnia, accompanied by obvious alterations of three neurotransmitters, which may be regarded as indicators for efficacy assessment of ZbAs.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148468664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Serum and Urine Metabolite Profiling Combined With Network Pharmacology to Predict the Renoprotective Mechanism of Huangkui Capsule Against Acute Kidney Injury 血清和尿液代谢物分析结合网络药理学预测黄葵胶囊对急性肾损伤的肾保护机制。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-17 DOI: 10.1002/bmc.70557

Jin-Jing Shi, Jian-Cheng Liao, Si-Man Qiao, Yu-Ting Tang, Jian-Dong Zou, Chang-Yin Li

{"title":"Serum and Urine Metabolite Profiling Combined With Network Pharmacology to Predict the Renoprotective Mechanism of Huangkui Capsule Against Acute Kidney Injury","authors":"Jin-Jing Shi, Jian-Cheng Liao, Si-Man Qiao, Yu-Ting Tang, Jian-Dong Zou, Chang-Yin Li","doi":"10.1002/bmc.70557","DOIUrl":"10.1002/bmc.70557","url":null,"abstract":"<div>\u0000 \u0000 <p>Huangkui capsule (HKC), the ethanol extract of <i>Abelmoschus Manihot</i> (L.) Medicus, is well known for its nephroprotective effects against chronic kidney diseases, but its therapeutic potential in acute kidney injury (AKI) and the underlying mechanisms remain largely unexplored. In this study, a simple and reliable LC-Q-TOF/MS method was developed to detect HKC metabolites in rat serum and urine. A metabolite–disease target network was constructed to predict the pharmacological activities of the serum metabolites, followed by PPI network analysis for hub target identification and GO/KEGG enrichment analyses. A total of 41 urine and 28 serum metabolites were identified. Network pharmacology analysis revealed 50 targets associated with 15 metabolites in the context of HKC treatment of AKI. AKT1 and its related pathways were predicted to serve as a central hub, and molecular docking analysis further predicted favorable binding affinity between AKT1 and all six screened key metabolites. This study established a practical approach for identifying HKC metabolites in vivo and provided a systematic framework for predicting the anti-AKI mechanism of HKC.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148468686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Revealing the Anti-Inflammatory Mechanisms of Zingiber officinale Roscoe Through Network Pharmacology and Experimental Validation 通过网络药理学和实验验证揭示黄姜的抗炎机制。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-17 DOI: 10.1002/bmc.70556

Jiaqi Guo, Yunan Sun, Xuegui Liu, Lixin Zhang, Danqi Li

{"title":"Revealing the Anti-Inflammatory Mechanisms of Zingiber officinale Roscoe Through Network Pharmacology and Experimental Validation","authors":"Jiaqi Guo, Yunan Sun, Xuegui Liu, Lixin Zhang, Danqi Li","doi":"10.1002/bmc.70556","DOIUrl":"10.1002/bmc.70556","url":null,"abstract":"<div>\u0000 \u0000 <p>A comprehensive approach combining network pharmacology and in vitro validation was employed to systematically elucidate the anti-inflammatory mechanisms of <i>Zingiber officinale</i> Roscoe. First, its components were preliminarily identified via UPLC-Q-Exactive Orbitrap MS/MS, whose targets were obtained from the Swiss Target Prediction database and the Traditional Chinese Medicine Systems Pharmacology database. Inflammation-related targets were retrieved from GeneCards and OMIM databases. Overlapping targets between compound-related and inflammation-related genes were identified, followed by the construction of PPI networks and component-target networks. Subsequent GO and KEGG pathway enrichment analyses were performed. Through network pharmacology analysis, 6-Shogaol (20), 8-Shogaol (24), and 8-Gingerol (19) emerged as core active components, while AKT1, MAPK3, EGFR, SRC, and STAT3 were identified as key targets. KEGG enrichment analysis revealed that the anti-inflammatory effects were primarily associated with AGE-RAGE, PI3K-Akt, MAPK, TNF, and IL-17 signaling pathways. Subsequently, molecular docking was employed to validate the binding affinity between core components and key targets. Finally, anti-inflammatory activity was validated in vitro using the LPS-stimulated RAW 264.7 macrophage model, and gene expression was assessed via qRT-PCR. Collectively, this study elucidates the active constituents and molecular mechanisms underlying the anti-inflammatory action of <i>Z. officinale</i>, providing a theoretical basis for its development, utilization, and clinical application.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148468659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Validation of an UHPLC–MS/MS Assay for the Quantification of Isoniazid and Four Major Metabolites in Human Plasma UHPLC-MS/MS法定量人血浆中异烟肼及四种主要代谢物的验证。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-17 DOI: 10.1002/bmc.70550

David Nerguizian, Brandon Klein, Farah Abdelmawla, Joe Gomez, Peter L. Anderson, Lane Bushman, Kristina M. Brooks

{"title":"Validation of an UHPLC–MS/MS Assay for the Quantification of Isoniazid and Four Major Metabolites in Human Plasma","authors":"David Nerguizian, Brandon Klein, Farah Abdelmawla, Joe Gomez, Peter L. Anderson, Lane Bushman, Kristina M. Brooks","doi":"10.1002/bmc.70550","DOIUrl":"10.1002/bmc.70550","url":null,"abstract":"<p>Isoniazid (INH) is a key component of tuberculosis treatment regimens but is also associated with hepatotoxicity. This toxicity is mediated in part by its metabolites, but some degrade rapidly in plasma. A rapid freeze/thaw process with a methanol protein precipitation extraction was developed to slow the rapid degradation of acetylisoniazid (AcINH) into isonicotinic acid (INA) and acetylhydrazine (AcHZ) in human plasma. An assay consisting of two UHPLC–MS/MS methods was developed and validated to determine concentrations of INH and four of its metabolites in human plasma: the “polar” method covering AcINH and INA, and the “nonpolar” method covering p-tolualdehyde derivatized AcHZ, hydrazine (HZ), and INH. Polar and nonpolar method chromatographic separation was accomplished with biphenyl or C18 columns, respectively, mobile phases of 4 mM ammonium formate in water or acetonitrile, and method specific gradient conditions. The validated range for AcINH, INA, and INH was 10.0 to 5000 ng/mL and for AcHZ and HZ was 10.0 to 500 ng/mL from 0.1 mL of plasma, respectively. Though other groups have validated methods to quantitate some or all of these analytes, none have adequately characterized or addressed AcINH degradation. This validated assay will help facilitate a better understanding of INH metabolite disposition and relationships with toxicity.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/bmc.70550","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148468820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dynamic Metabolic Profiling and Diagnostic Biomarkers of Acute Graft-Versus-Host Disease Based on Metabolomics 基于代谢组学的急性移植物抗宿主病的动态代谢分析和诊断生物标志物。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-10 DOI: 10.1002/bmc.70545

Ruigeng Yang, Lei Wang, Nannan Li, Shufeng Li, Jiancheng Fang, Wenli Sun, Chunfei Jiang, Meng Li, Xiaofei Luo, Yang Xue, Jing Long, Hongxing Liu

{"title":"Dynamic Metabolic Profiling and Diagnostic Biomarkers of Acute Graft-Versus-Host Disease Based on Metabolomics","authors":"Ruigeng Yang, Lei Wang, Nannan Li, Shufeng Li, Jiancheng Fang, Wenli Sun, Chunfei Jiang, Meng Li, Xiaofei Luo, Yang Xue, Jing Long, Hongxing Liu","doi":"10.1002/bmc.70545","DOIUrl":"10.1002/bmc.70545","url":null,"abstract":"<div>\u0000 \u0000 <p>This study utilized LC–MS/MS–based metabolomics to characterize the dynamic metabolic changes associated with the onset and progression of acute graft-versus-host disease (aGVHD), aiming to identify potential noninvasive biomarkers for diagnosis and prognostic assessment. A total of 110 patients with AML who underwent allogeneic hematopoietic stem cell transplantation (allo-HSCT) were enrolled in the study. Plasma samples from these patients were analyzed using an untargeted metabolomics platform. Differential metabolites and their clinical relevance were investigated using multiple statistical approaches, including pathway enrichment, hierarchical clustering, and ROC curve analysis. The results showed that compared with patients without aGVHD, 36 plasma metabolites were significantly dysregulated in those with aGVHD (VIP > 1, <i>p</i> < 0.05). Among these, six glycerophospholipids—PC(P-16:0/18:1), PC(20:4/20:4), PC(16:0/16:0), PC(18:0/20:3), PE(P-18:0/20:5), and PC(o-16:1/18:0)—exhibited regular alterations across different stages of aGVHD. The combined AUC under the six metabolites was 0.960, highlighting their strong diagnostic potential. Multivariate analysis further indicated that this six-metabolite signature was predictive of 4-year overall survival, with several metabolites serving as independent prognostic factors. In conclusion, these six glycerophospholipid metabolites display dynamic changes during aGVHD progression and hold promise as noninvasive biomarkers for both diagnosis and prognostic stratification. Validation in larger patient cohorts is warranted to confirm these findings.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148418382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring the Mechanisms of the Yueju Pill for ALD by Integrating UPLC-QE Orbitrap-MS/MS, Network Pharmacology, and Experimental Verification 结合UPLC-QE Orbitrap-MS/MS、网络药理学和实验验证探讨越菊丸治疗ALD的作用机制。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-09 DOI: 10.1002/bmc.70537

Kaixuan Zhou, Xiaoyong Yuan, Xiaotian Fan, Bingbing Yu, Jing Wang, Wenlong Zhao

{"title":"Exploring the Mechanisms of the Yueju Pill for ALD by Integrating UPLC-QE Orbitrap-MS/MS, Network Pharmacology, and Experimental Verification","authors":"Kaixuan Zhou, Xiaoyong Yuan, Xiaotian Fan, Bingbing Yu, Jing Wang, Wenlong Zhao","doi":"10.1002/bmc.70537","DOIUrl":"10.1002/bmc.70537","url":null,"abstract":"<div>\u0000 \u0000 <p>This study integrated UPLC-QE Orbitrap-MS/MS, network pharmacology, and experimental validation to investigate the chemical profile and therapeutic mechanisms of the Yueju pill (YJP) in the treatment of alcoholic liver disease (ALD). Chemical analysis identified 91 compounds in the YJP. After SwissADME screening, 45 active ingredients were predicted as potential bioactive compounds. By overlapping the targets of these compounds with ALD-related targets, a “component–target–disease” network was constructed, revealing 183 common targets. Enrichment analysis indicated that YJP exerts its therapeutic effects through multiple pathways, including the HIF-1 signaling pathway. In animal experiments, an ALD mouse model was established using the Lieber–DeCarli ethanol liquid diet. YJP intervention significantly reduced serum TG, AST, and ALT levels, alleviated hepatic lipid deposition and collagen deposition, improved liver mitochondrial homeostasis, and decreased hepatic HIF-1α expression. Moreover, the YJP improved intestinal barrier integrity and upregulated intestinal HIF-1α and occludin expression, reflecting a therapeutic mechanism involving coordinated regulation of the gut–liver axis.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148410052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Urinary Gas Chromatography-Based Metabolomics for Early Detection of Liver Cirrhosis and Hepatocellular Carcinoma: A Decade of Progress 基于尿气相色谱的代谢组学用于肝硬化和肝细胞癌的早期检测：十年的进展。

IF 1.7 4区医学

Biomedical Chromatography Pub Date : 2026-07-08 DOI: 10.1002/bmc.70541

Diaa I. Osman, Sheta M. Sheta, Mostafa I. Abdelglil, Fatma O. Khalil, Waheed M. Salem, Naser A. Naser, Ahmed Attia

{"title":"Urinary Gas Chromatography-Based Metabolomics for Early Detection of Liver Cirrhosis and Hepatocellular Carcinoma: A Decade of Progress","authors":"Diaa I. Osman, Sheta M. Sheta, Mostafa I. Abdelglil, Fatma O. Khalil, Waheed M. Salem, Naser A. Naser, Ahmed Attia","doi":"10.1002/bmc.70541","DOIUrl":"10.1002/bmc.70541","url":null,"abstract":"<div>\u0000 \u0000 <p>Liver cirrhosis (LC) and hepatocellular carcinoma (HCC) represent major global health burdens. It is urgent to develop reliable and non-invasive testing technologies that can detect HCC early. The progress of urine metabolomics research has been exponential in the past decade (2016–2026). The method of analyzing volatile organic compounds (VOCs) provides more effective profiles than the traditional analysis of polar metabolites. As an example, in the earliest studies of gas chromatography–mass spectrometry (GC–MS) analysis, researchers identified several organic acids capable of differentiating healthy subjects from individuals with HCC. Despite these advances, distinguishing between cirrhosis and HCC remains challenging, delaying patient management and complicating urgent clinical decisions. New high-resolution analytical techniques such as gas chromatography-time-of-flight mass spectrometry (GC-TOF-MS) and gas chromatography-ion mobility spectrometry (GC-IMS) make the detection of minute quantities of aromatic compounds, ketones, and aldehydes much more manageable. The TENDENCY study was designed to evaluate these technologies within a large multicenter framework; however, outcome data have not yet been published. Overall, recent evidence suggests that urine metabolomics may represent a superior approach compared to invasive methods for earlier detection of hepatic disorder because the markers enable scientists to build up a “liquid biopsy” model.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"40 8","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148410176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0