Journal of pharmaceutical and biomedical analysis最新文献

{"title":"A readily interpretable rule involving multiple forms of pairwise molecule comparisons with applications for clinical make-decision of breast cancer management","authors":"Xin Huang ,&nbsp;Jingyu Chen ,&nbsp;Xinyu He","doi":"10.1016/j.jpba.2026.117347","DOIUrl":"10.1016/j.jpba.2026.117347","url":null,"abstract":"<div><div>Cells of breast cancer (BC) can metastasize to lymph nodes or other organs and is the high leading cause of female cancer deaths. Efforts to improve the performance of early detection and precise treatment are urgent and important for BC management. In clinical application, compared with highly complex classification functions, precise, simple and biologically interpretable algorithms can strengthen the understanding of disease development and facilitate the personalization of therapeutic strategies. In this study, a novel readily interpretable decision rule involving multiple forms of molecular relationship (RI-MFR) was proposed for cancer clinical management applications. In RI-MFR, linear and nonlinear pairwise molecule comparisons were comprehensively analyzed by a joint probability mass function for the identification of top scoring pairs from high dimensional biomolecular data. Based on the selected few molecule pairs, accurate, readily interpretable decision rules were inferred to provide biological insight as to how classification was performed. RI-MFR can effectively eliminate the influence of sample variability caused by individual differences. RI-MFR was successfully employed to analyze changes in metabolic mechanisms during BC development based on genomics datasets and metabolic alterations before and after BC therapy using our metabolomic profiling. The experimental results indicated that genes and metabolites involving in the glycosphingolipid metabolism may be the crucial factors associated with BC development and contribute to the enhanced effectiveness of BC treatment. Compared with other algorithms, RI-MFR had the significantly better classification results with <em>p</em>-values &lt; 0.05, which suggested it is a more useful tool to identify important bioinformation for clinical BC management.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117347"},"PeriodicalIF":3.1,"publicationDate":"2026-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pathophysiological impacts of particulate matter exposure on respiratory health and emerging biomarkers for early detection","authors":"Yen-Yi Lee ,&nbsp;Guo-Ping Chang-Chien ,&nbsp;Bo-Wun Huang ,&nbsp;Balasubramanian Sriram ,&nbsp;Sea-Fue Wang ,&nbsp;Sakthivel Kogularasu ,&nbsp;Meng-Chih Lin","doi":"10.1016/j.jpba.2026.117339","DOIUrl":"10.1016/j.jpba.2026.117339","url":null,"abstract":"<div><div>Particulate matter (PM) is a significant and preventable environmental health hazard, closely associated with the initiation, progression, and exacerbation of respiratory diseases. The pathological effects of PM inhalation arise from the combined influence of its physicochemical properties and individual susceptibilities, triggering oxidative stress, inflammatory cascades, epithelial barrier disruption, and structural remodeling of lung tissue. This review synthesizes current knowledge on the compositional diversity and emission sources of PM, the underlying biological mechanisms of respiratory toxicity, and the emerging role of molecular biomarkers in early disease detection. Key biomarkers include inflammatory mediators such as IL-6 and TNF-α, oxidative stress indicators like 8-OHdG and MDA, epithelial injury markers including SP-D and CC16, and epigenetic regulators such as miRNA signatures and DNA methylation patterns. These biomarkers hold promise for identifying subclinical alterations in pulmonary function, enabling earlier intervention before irreversible damage occurs. However, progress is hindered by challenges in assay standardization, matrix-specific validation, and inter-individual variability. Advancing biomarker-based surveillance will require coordinated, multidisciplinary efforts integrating molecular biology, environmental toxicology, bioinformatics, and sensor technology. The integration of high-resolution biomarker science into environmental health frameworks offers transformative potential for predictive, preventive, and personalized strategies to mitigate the global burden of PM-related respiratory disease.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117339"},"PeriodicalIF":3.1,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Revelation of metabolic pathways and potential targets associated with latent and active pulmonary tuberculosis via transcriptome and metabonomics analysis","authors":"Yourou Zhou ,&nbsp;Yiwei Shang ,&nbsp;Qikai Luo ,&nbsp;Mengjiao Xue ,&nbsp;Yan Liu ,&nbsp;Yunguang Wang ,&nbsp;Juan Jin ,&nbsp;Lifang Sun","doi":"10.1016/j.jpba.2026.117340","DOIUrl":"10.1016/j.jpba.2026.117340","url":null,"abstract":"<div><div>Tuberculosis (TB) is one of the world's top ten causes of mortality. Current diagnostic methods, primarily based on microbiology and Polymerase Chain Reaction (PCR), still lack the ability to accurately distinguish between latent and active TB, highlighting the urgent need for more precise diagnostic strategies. In recent years, transcriptomics and metabolomics have become increasingly popular in elucidating disease pathophysiology. In this study, we used an integrated multi-omics approach, combining non-targeted metabolomics and transcriptomics to examine blood samples from 39 clinical participants. Our results revealed that Valine, leucine and isoleucine biosynthesis, Linoleic acid metabolism and Purine metabolism were strongly associated with the progression of pulmonary tuberculosis (PTB) infection. Furthermore, we identified glycerophospholipid metabolism as a key pathway involved in PTB, and proposed ABCC6, ABCG1, and PLA2G4A as potential biomarkers for discriminating between active PTB and latent TB infection (LTBI).</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117340"},"PeriodicalIF":3.1,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An online rapid screening HPLC system establishing and applying discovered a new type of natural chemical ligand of the BRD4-BD1 from Hedyotis diffusa","authors":"Lina Wang,&nbsp;Hong Wang,&nbsp;Shizhong Chen","doi":"10.1016/j.jpba.2026.117336","DOIUrl":"10.1016/j.jpba.2026.117336","url":null,"abstract":"<div><div>Herein, we report an online high performance liquid chromatography (HPLC) for screening of the bromodomain-containing protein 4-first bromodomain (BRD4-BD1) ligands, leading to screen a new type of natural chemical ligand of the BRD4-BD1 from <em>Hedyotis di</em>ff<em>usa</em>. The system was first established, validated, and then applied for rapid screening the ligands of BRD4-BD1 from <em>Hedyotis di</em>ff<em>usa</em>. It was investigated using the positive ligand JQ1 in five aspects including the suitability, the specificity<em>,</em> the reproductivity, the limit of detection (LOD), and the saturability of this system. When it was been applied to screen BRD4-BD1 ligands from <em>Hedyotis di</em>ff<em>usa</em>, one candidate ligand <strong>1</strong> was fished out. Then the ligand <strong>1</strong> was isolated and identified. And their interaction between the screened ligand <strong>1</strong> and the BRD4-BD1 was assay on the online system again and followed verified by the surface plasmon resonance (SPR) technique. The molecular docking was performed to the binding mode of ligand <strong>1</strong> with BRD4-BD1. The ligand <strong>1</strong> was found as a new type of natural ligand for BRD4-BD1 protein. In a conclusion, we have systemically demonstrated the feasibility of the online HPLC system screening method applying to screen the chemical ligand of the BRD4-BD1 in complex substance systems. Besides, the ligand <strong>1</strong> provided a potential new type of scaffold for chemical modification for BRD4-BD1 inhibitors in future.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117336"},"PeriodicalIF":3.1,"publicationDate":"2026-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pharmacokinetic investigation on eight primary active constituents of Weifuchun capsules in healthy and chronic atrophic gastritis model rats","authors":"Wentao Shao ,&nbsp;Xinxin Zhao ,&nbsp;Qiuya Zhou ,&nbsp;Lvli Ma ,&nbsp;Wei Zhang ,&nbsp;Yi Tao","doi":"10.1016/j.jpba.2026.117335","DOIUrl":"10.1016/j.jpba.2026.117335","url":null,"abstract":"<div><div>Weifuchun capsule (WC) is clinically employed in treating chronic atrophic gastritis (CAG), yet differences in its pharmacokinetic profile between normal and chronic atrophic gastritis model rats remain insufficiently characterized. In this study, a reliable and precise ultra-high performance liquid chromatography–tandem mass spectrometry method was developed and validated for the simultaneous quantification of eight major active constituents including <em>p</em>‑coumaric acid, ginsenoside Rg1, kaempferol, luteolin, hesperetin, apigenin, naringenin, and tangeretin in rat plasma. This method was subsequently applied to investigate the pharmacokinetics of Weifuchun capsule. A chronic atrophic gastritis model was established using a modified chemical stimulation method. Plasma samples were pretreated via protein precipitation with chloramphenicol as the internal standard and then analyzed. The intra- and inter-day precision for all eight analytes was below 6.32 %, with accuracies within ±5.19 %. Extraction recoveries ranged from 89.15 % to 112.50 %, and matrix effects were between 95.69 % and 104.83 %. All analytes demonstrated satisfactory stability under various storage conditions. The validated method was successfully applied to a comparative pharmacokinetic study. Compared with the normal group, the chronic atrophic gastritis model group exhibited significantly increased C_max and AUC_0→t values for ginsenoside Rg1, hesperetin, and naringenin (<em>p</em> &lt; 0.05), along with significantly elevated C_max for kaempferol and apigenin (<em>p</em> &lt; 0.05). Additionally, t_1/2 was significantly shortened for ginsenoside Rg1 and <em>p</em>-coumaric acid. These findings suggest enhanced absorption and accelerated elimination of certain bioactive components of Weifuchun capsules under chronic atrophic gastritis pathological conditions. The altered pharmacokinetic behavior of multiple active compounds of Weifuchun capsules in chronic atrophic gastritis model rats provides important insights into the pharmacological mechanisms of Weifuchun capsules in the treatment of chronic atrophic gastritis.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117335"},"PeriodicalIF":3.1,"publicationDate":"2026-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145917927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Importance in optimization of sample volume in the IgG-immunoaffinity UPLC-MS/MS assay for quantification of a therapeutic antibody in monkey serum","authors":"Kenji Kita ,&nbsp;Yuji Mano","doi":"10.1016/j.jpba.2026.117334","DOIUrl":"10.1016/j.jpba.2026.117334","url":null,"abstract":"<div><div>E6011 is a novel monoclonal antibody developed for the treatment of rheumatoid arthritis. Ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC–MS/MS) has become increasingly important in the assays of therapeutic antibodies, yet achieving high sensitivity remains a major challenge. For the E6011 assay, an immunoaffinity (IgG-IA) method employing protein G in combination with UPLC-MS/MS was utilized and qualified in monkey serum. Method development revealed that increasing the matrix volume did not always lead to improved sensitivity when using a fixed volume of protein G magnetic beads, due to their limited capture capacity. Using only 1.8 µL of monkey serum, E6011 was quantitatively analyzed at concentrations as low as 1 µg/mL. Accuracy and precision were within ±20 %, meeting the acceptance criteria, however, the selectivity result at 1 µg/mL highlighted the need for evaluation of selectivity across multiple individuals. E6011 concentrations in monkey serum were determined using the IgG-IA-UPLC-MS/MS method, and the resulting pharmacokinetic parameters were comparable to those previously reported using UPLC-MS/MS with ammonium sulfate precipitation and a ligand-binding assay. These findings highlight the importance of optimizing matrix volume in assay development and demonstrate the successful application of the established method in a monkey pharmacokinetic study.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117334"},"PeriodicalIF":3.1,"publicationDate":"2026-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Banxia Xiexin Decoction modulates short-chain fatty acid metabolism and mitigates ulcerative colitis by reshaping the intestinal microbiota","authors":"Ji Wanli ,&nbsp;Song Xingyue ,&nbsp;Liang Xinning ,&nbsp;Zheng Yashuo ,&nbsp;Qian Xiaojing ,&nbsp;Hu Cheng ,&nbsp;Huo Yan","doi":"10.1016/j.jpba.2025.117332","DOIUrl":"10.1016/j.jpba.2025.117332","url":null,"abstract":"<div><div>Ulcerative colitis (UC) is a chronic inflammatory disorder that significantly impacts the quality of life for patients. Dysbiosis of gut microbiota and changes in short-chain fatty acid (SCFA) metabolism play a role in both the initiation and progression of UC. Banxia Xiexin Decoction (BXD), a formula in traditional Chinese medicine, has shown therapeutic effects; however, its underlying mechanism remains unclear. A rat model of colitis induced by dextran sulfate sodium (DSS) was created, and various doses of BXD were administered. The principal components of BXD were analyzed through high-pressure liquid chromatography (HPLC). In order to clarify the mechanisms, 16S rRNA sequencing, serum metabolomics, targeted profiling of SCFAs via gas chromatography-mass spectrometry (GC-MS), and assessments of enzyme activity were conducted. BXD exerted protective effects against DSS-induced UC, as indicated by attenuated histological damage and reduced expression of pro-inflammatory cytokines. Untargeted metabolomics revealed that BXD modulated multiple metabolic pathways, enhancing SCFA-related processes, such as propanoate and butanoate metabolism. GC–MS revealed that BXD could increase the level of acetate, propionate, butyrate, isobutyrate, valerate, isovalerate and hexanoate. Microbiome sequencing indicated that BXD increased the abundance of beneficial taxa (e.g. Firmicutes, Bacteroidetes), while reducing pro-inflammatory genera. Altogether, BXD restored the microbial balance and promoted anti-inflammatory metabolite production. Our results demonstrated that BXD ameliorated UC by reprogramming gut microbial composition and enhancing SCFA biosynthesis, thereby suppressing intestinal inflammation. The potential of BXD as a therapy aimed at the microbiota for UC is emphasized in these studies, which also offer mechanistic insights using multi-omics approaches.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117332"},"PeriodicalIF":3.1,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145917938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elucidating the effects of ginger processing on Magnolia bark: A multi-platform strategy linking chemical composition to taste and bioactivity","authors":"Zhiyan Xie ,&nbsp;Haochen Wu ,&nbsp;Huixian Qing ,&nbsp;Yu Yin ,&nbsp;Zicheng Ma ,&nbsp;Guoqin Zhang ,&nbsp;Meiqi Liu ,&nbsp;Shiwei Chai ,&nbsp;Xiaoliang Ren","doi":"10.1016/j.jpba.2026.117333","DOIUrl":"10.1016/j.jpba.2026.117333","url":null,"abstract":"<div><div><em>Magnolia officinalis</em> (Houpo, HP) is a prominent Traditional Chinese Medicine(TCM). Despite its traditional processing with ginger to reduce irritation, enhance efficacy, and improve taste, the underlying mechanisms connecting this chemical transformation to its sensory and gastrointestinal effects are not fully understood. Existing studies lack systematic analysis of shared targets across gastrointestinal diseases and the identification of quality markers (Q-markers), limiting scientific justification for its processing and clinical use. This study therefore applied an integrated UPLC-Q-TOF/MS, chemometrics, and network pharmacology approach to elucidate the effects of ginger processing. In this study a total of 46 batches of samples (22 raw, 24 ginger-processed) were analyzed by UPLC-Q-TOF/MS to identify and quantify chemical constituents. Chemometric models were used to discriminate sample types and identify potential Q-markers. The correlation between taste and chemical profiles was assessed using an electronic tongue combined with Pearson correlation analysis. Network pharmacology was employed to predict targets related to functional dyspepsia (FD), postoperative nausea and vomiting (PONV), and chronic gastritis (CG), followed by GO/KEGG enrichment analysis. Molecular docking was performed to validate binding affinities between key bioactive components and core targets. The experimental results showed that Fifty-four compounds were characterized, and chemometric models clearly distinguished raw from ginger-processed HP (Jianghoupo, JHP). Electronic tongue analysis revealed that Magnoloside A plays a key role in reducing bitterness after ginger processing. Network pharmacology identified 51 overlapping targets across FD, PONV, and CG, with AKT1, TNF, CTNNB1, IL1B, and STAT3 as core nodes in the network. Molecular docking confirmed stable binding between principal components and these targets. An integrative “component transformation–taste modulation–gastrointestinal regulation” model was established, illustrating how ginger processing improves both palatability and pharmacological efficacy. In summary, ginger processing transforms the chemical and sensory profiles of HP into a state of improved palatability and strengthened gastrointestinal regulatory function. These findings provide a mechanistic rationale and scientific foundation for the traditional processing practice of combining ginger with HP in clinical use.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"272 ","pages":"Article 117333"},"PeriodicalIF":3.1,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Separation of mephentermine from other structural analogues of phenethylamine and amphetamine in biological matrices using Liquid Chromatography-Tandem Mass Spectrometry","authors":"Tusha Tripathi ,&nbsp;Kamna Sharma ,&nbsp;Awanish Upadhyay ,&nbsp;Ashok Singh ,&nbsp;Puran Lal Sahu ,&nbsp;Tarun Handa ,&nbsp;Meghna Choudhary ,&nbsp;Bikash Medhi","doi":"10.1016/j.jpba.2025.117328","DOIUrl":"10.1016/j.jpba.2025.117328","url":null,"abstract":"<div><div>Stimulants exert euphorigenic and relaxing effects which warrant intervention of regulatory authorities in non-medical usage of these doping agents. Thus, a semi-quantitative method utilizing Ultra-High-Performance Liquid Chromatography-Tandem Mass Spectrometry (UHPLC-MS/MS) was developed to monitor potential misuse of 10 structural analogues of amphetamine and phenylethylamine derivatives. The extraction protocol for urine was dilute and shoot (DS) with 1 mL aliquot size, while that for plasma/serum was solid-phase extraction (SPE) with a 100 µL aliquot size. Chromatographic separation was achieved over an 18-minute gradient on a Phenomenex Luna Omega UHPLC C18 column. The mobile phase consisted of water and acetonitrile, both containing formic acid as a modifier, specifically at 1 % (v/v) for urine and 0.1 % (v/v) for plasma/serum analyses. Positive electrospray ionization (ESI+) was employed for mass spectrometric detection with acquisition in multiple reaction monitoring (MRM) mode. Method validation was performed in accordance with World Anti-Doping Agency (WADA) requirements for analyzing prohibited substances with minimum reporting limits (MRLs). Limits of identification (LOI) determined for urine and plasma/serum matrices were as follows: 0.5 ng/mL and 1 ng/mL for Oxethazaine; 1 ng/mL and 2.5 ng/mL for BHPT and BHMPT; 12.5 ng/mL and 25 ng/mL for PT and 5 ng/mL and 12.5 ng/mL for MPT, NEAMP, DMAMP, 4MMAMP, NEBMPEA and NNBTPEA, respectively. An analytical method characterized by rapidity, simplicity and cost-effectiveness was implemented for the chromatographic separation of stimulant structural analogues, facilitating the determination of potential stimulant abuse within human performance sports.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117328"},"PeriodicalIF":3.1,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A general strategy to screen and evaluate antitussive, anti-inflammatory, and expectorant active components from raw and honey-fired Farfarae Flos based on β2-AR/CysLT1R/M3R chromatography and mice models","authors":"Yaqi Wang,&nbsp;Ping Shu,&nbsp;Mei Lv,&nbsp;Yonghao Xing,&nbsp;Haoran Zhang,&nbsp;Xiaojing Yan,&nbsp;Bo Wang,&nbsp;Tingting Huang,&nbsp;Minfeng Fang","doi":"10.1016/j.jpba.2025.117331","DOIUrl":"10.1016/j.jpba.2025.117331","url":null,"abstract":"<div><div>Farfarae Flos and its honey-processed product are used to treat respiratory diseases; yet their active components and therapeutic targets remained unclear. Herein, we developed an integrated strategy combining receptor chromatography and mice models to screen and evaluate active components in both raw and honey-processed Farfarae Flos. We focused on three key receptors,β₂-AR, CysLT₁R, and M₃R, known to be involved in antitussive, anti-inflammatory, and expectorant activities. These receptors were immobilized onto silica gels to construct affinity columns. Using these columns, we identified the bioactive compounds in both forms of Farfarae Flos. The results revealed an identical set of target-specific compounds across raw and honey-processed samples: chlorogenic acid (CGA) and caffeic acid (CA) targeted β₂-AR; CGA and rutin bound to CysLT₁R; and CGA along with isochlorogenic acids A, B, and C interacted with M₃R. Notably, the interactions of rutin with CysLT₁R and isochlorogenic acids A, B, and C with M₃R are reported for the first time. These findings indicate that both raw and honey-fired Farfarae Flos share the same material basis for their antitussive, anti-inflammatory, and expectorant effects, with no significant alteration in pharmacological efficacy due to honey processing. Furthermore, the binding affinities of the bioactive compounds for the receptors correlated well with the molecular docking-predicted binding energies of the corresponding compound-receptor complexes. To our knowledge, this study represents the first target-centric comparative analysis of raw and processed Farfarae Flos. It establishes a generalizable framework for investigating processing-induced changes in herbal pharmacology and provides empirical evidence connecting metabolomic profiles to clinical efficacy.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":"271 ","pages":"Article 117331"},"PeriodicalIF":3.1,"publicationDate":"2025-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145911637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}