Die Pharmazie最新文献

{"title":"Feasibility of a Web-Based Visualization Tool for Estimating Ibuprofen Pharmacokinetic and Pharmacodynamic Profiles to Support Self-Medication.","authors":"Sekar Ayu Pawestri, Kanoko Okuba, Kenji Ikeda","doi":"10.31083/Pharmazie55064","DOIUrl":"https://doi.org/10.31083/Pharmazie55064","url":null,"abstract":"<p><strong>Background: </strong>Ibuprofen is an over-the-counter (OTC) medication widely used as an antipyretic and analgesic. However, frequent use without medical supervision can lead to improper use and unintended side effects. Nonetheless, obtaining advice from medical professionals regarding OTC drugs can be difficult for ordinary users. Hence, this study aimed to develop a user-friendly visualization-based web application for ibuprofen and to verify the feasibility of enabling general users to simulate and visualize blood drug concentrations and predict drug efficacy, thereby informing proper usage.</p><p><strong>Methods: </strong>Previously reported population pharmacokinetic and pharmacodynamic (PK/PD) models were reconstructed using Phoenix® NLME, and the estimates were validated via visual predictive check against reported population observations and values derived from physiologically based pharmacokinetic (PBPK) analysis. Additionally, to facilitate visualization of the effects of ibuprofen on the body, a web application for PK/PD simulation was developed based on the reconstructed model and implemented in Python using the Runge-Kutta method.</p><p><strong>Results: </strong>The developed web application (VisiblePharm™) visualized the relationship between the administered dose and ibuprofen concentration in plasma over time and simultaneously assess its efficacy. However, individual differences are limited to variations resulting from differences in physique. The simulation results also showed good agreement with estimates derived from PBPK analysis.</p><p><strong>Conclusion: </strong>VisiblePharm demonstrated that, despite the use of a limited set of covariates within the reconstruction model, it is possible to readily estimate the pharmacokinetics and antipyretic effects of ibuprofen following administration. We believe that with further clinical validation, this application will contribute to society as a health planning support tool, facilitating successful self-medication.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"55064"},"PeriodicalIF":0.0,"publicationDate":"2026-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"GA Eases Atherosclerosis by Regulating Circadian Rhythm.","authors":"Chengxin Hao, Feifei Ren, Yuting Guo, Jing Ren, Mingyao E","doi":"10.31083/Pharmazie55101","DOIUrl":"https://doi.org/10.31083/Pharmazie55101","url":null,"abstract":"<p><strong>Background: </strong>Atherosclerosis (AS) serves as a fundamental high-risk factor associated with the development of cardiovascular diseases. There is an urgent need to investigate efficacious therapeutic strategies and molecular targets to combat AS.</p><p><strong>Methods: </strong>Apolipoprotein E (ApoE)^-/^- mice fed a high-fat diet were administered glycyrrhetinic acid (GA) to establish the AS intervention model. An enzyme-linked immunosorbent assay (ELISA) was used to detect serum levels of the pro-inflammatory cytokines IL-6 and tumor necrosis factor‑α (TNF-α). Concurrently, biochemical analyses measured serum lipid profiles, including low-density lipoprotein cholesterol (LDL-C), high-density lipoprotein cholesterol (HDL-C), triglycerides (TG), and total cholesterol (TC). Total RNA extracted from mouse aortic tissues was subjected to RNA sequencing to identify differentially expressed genes (DEGs), followed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses. Cytoscape software, combined with weighted gene co-expression network analysis (WGCNA), was used to filter candidate target genes, and quantitative real-time PCR (qPCR) was conducted to verify the expression levels of hub clock genes.</p><p><strong>Results: </strong>GA markedly suppressed the overproduction of IL-6 and TNF-α in AS model mice. Meanwhile, GA reduced serum LDL-C, TG, and TC concentrations and elevated HDL-C levels. RNA-seq-derived DEGs were significantly enriched in biological processes and signaling pathways related to circadian rhythm. Three core clock genes, period circadian clock 1 (<i>Per1</i>), period circadian clock 2 (<i>Per2</i>), and period circadian clock 3 (<i>Per3</i>), were identified as candidate targets. qPCR results validated that GA significantly upregulated the expression of <i>Per1</i>, <i>Per2</i>, and <i>Per3</i> in aortic tissues.</p><p><strong>Conclusion: </strong>This study preliminarily confirms that GA exerts anti‑atherosclerotic effects in ApoE^-/^- mice. Its potential therapeutic mechanism may be associated with circadian rhythm‑related signalling involving <i>Per1</i>, <i>Per2</i>, <i>Per3</i>.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"55101"},"PeriodicalIF":0.0,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visual Differentiation of <i>Bupleurum marginatum</i> var. <i>stenophyllum</i> From <i>Bupleurum chinense</i> DC. Using a PCR-Coupled G-Quadruplex Colorimetric Assay.","authors":"Shunjie Yuan, Fuxiang Wu, Wenhui Chen, Jing Li, Zhen Tian, Wenjing Bai, Bin Zhou, Zhaojun Song, Xiaoxia Han, Liyan Fu, Jinli Yue","doi":"10.31083/Pharmazie53662","DOIUrl":"https://doi.org/10.31083/Pharmazie53662","url":null,"abstract":"<p><strong>Background: </strong>Adulteration of official <i>Bupleurum chinense</i> DC. with the morphologically similar <i>Bupleurum marginatum</i> Wall. ex DC. var. <i>stenophyllum</i> (Wolff) Shan et Y. Li poses safety risks. This study aimed to develop a rapid and visual method for differentiating these two species using a polymerase chain reaction (PCR)-coupled G-quadruplex/DNA enzyme (DNAzyme) colorimetric assay.</p><p><strong>Methods: </strong>Using species-specific single nucleotide polymorphism (SNP) loci in the internal transcribed spacer 2 (ITS2) region of ribosomal DNA, we designed forward and reverse primers tagged with the reverse complement of a G-quadruplex-forming sequence at their 5' termini. Following PCR, the target sequences were specifically amplified, generating amplicons flanked by G-quadruplex-forming motifs at both termini. The amplicons were then subjected to thermal denaturation, after which the G-rich sequences folded into G-quadruplex structures in the presence of K⁺. These structures were subsequently bound to hemin to form a G-quadruplex/hemin DNAzyme with peroxidase-like activity. The DNAzyme catalyzes H₂O₂-mediated oxidation of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS) to a blue-green product. The PCR amplification and colorimetric reaction conditions were optimized by single-factor gradient experiments.</p><p><strong>Results: </strong>The optimal conditions were determined as follows: for PCR, a final primer concentration of 0.32 μmol/L, an annealing temperature of 60 ℃, and 35 amplification cycles; for the colorimetric reaction, final concentrations of 5 μmol/L hemin and 2 mmol/L ABTS, with denaturation at 95 ℃ for 8 min, and incubation at 4 ℃ for 20 min. Validation of this assay using 21 <i>Bupleurum</i> samples confirmed that it specifically identified <i>B. marginatum</i> var. <i>stenophyllum</i>, while showing no cross-reactivity with <i>B. chinense</i>, <i>Bupleurum scorzonerifolium</i> Willd., or other congeneric <i>Bupleurum</i> species included in the study. The statistical LOD of the assay was determined to be 1 ng/μL, with a reliable naked-eye visual threshold at ≥2 ng/μL and a validated detection range extending to at least 50 ng/μL with no observable hook effect.</p><p><strong>Conclusions: </strong>This assay enables naked-eye readout with high specificity and sensitivity. It provides a promising technical platform for the rapid differentiation of <i>B. marginatum</i> var. <i>stenophyllum</i> from <i>B. chinense</i>, as well as a broadly adaptable research framework for the visual differentiation of congeneric adulterants in traditional Chinese medicinal materials.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"53662"},"PeriodicalIF":0.0,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydroxysafflor Yellow A Alleviates Ischemic Stroke Through Modulation of GPX4-Associated Ferroptosis: Computational Simulation and Animal Validation.","authors":"Yun Chen, Tianxue Chen, Li Yu","doi":"10.31083/Pharmazie55314","DOIUrl":"https://doi.org/10.31083/Pharmazie55314","url":null,"abstract":"<p><strong>Background: </strong>Ferroptosis has been recognized as an important pathological mechanism underlying ischemic stroke (IS). However, the precise mechanisms underlying the neuroprotective effects of Hydroxysafflor yellow A (HSYA) in IS remain unclear.</p><p><strong>Objective: </strong>Therefore, this study aimed to investigate the protective effects of HSYA against IS and explore the underlying ferroptosis-related mechanisms.</p><p><strong>Methods: </strong>An integrated strategy combining network pharmacology, molecular docking, molecular dynamics simulations, and a middle cerebral artery occlusion (MCAO) mouse model was employed to elucidate the neuroprotective mechanisms of HSYA. Neurological deficit scores, infarct volume, histopathology, oxidative stress, and ferroptosis-related molecules were evaluated. For <i>in vivo</i> validation, mice were randomly assigned to the sham, MCAO, Ras-selective lethal (RSL), HSYA, and RSL + HSYA groups (n = 12 per group). Ras-selective lethal 3 (RSL3) was used as a glutathione peroxidase 4 (GPX4) inhibitor in the RSL and RSL + HSYA groups.</p><p><strong>Results: </strong>Network pharmacology identified GPX4 and Ferritin Heavy Chain 1 (FTH1) as potential ferroptosis-related targets of HSYA in IS. Docking analysis showed favorable binding affinities of HSYA toward GPX4 (-9.3 kcal/mol) and FTH1 (-9.1 kcal/mol), and molecular dynamics simulations further supported the stability of the HSYA-GPX4 and HSYA-FTH1 complexes. <i>In vivo</i> experiments showed that HSYA significantly improved neurological deficit score, reduced infarct volume, and alleviated histopathological damage in MCAO mice (<i>p</i> < 0.01 or <i>p</i> < 0.05). Moreover, HSYA significantly decreased malondialdehyde (MDA) and reactive oxygen species (ROS) levels while increasing superoxide dismutase (SOD) and glutathione peroxidase (GSH-Px) activities (<i>p</i> < 0.01 or <i>p</i> < 0.05). HSYA significantly upregulated the mRNA and protein levels of GPX4, FTH1, and mitochondrial ferritin (FTMT) (<i>p</i> < 0.01 or <i>p</i> < 0.05). Notably, HSYA significantly increased the relative protein expression of GPX4 compared with the MCAO group (<i>p</i> < 0.01). Furthermore, RSL3 partially attenuated the protective effects of HSYA on cerebral injury, oxidative stress, and the expression of GPX4, FTH1, and FTMT (<i>p</i> < 0.01 or <i>p</i> < 0.05). Collectively, the present study demonstrates that HSYA confers neuroprotection against IS, at least in part, through regulation of GPX4-associated ferroptosis pathways.</p><p><strong>Conclusions: </strong>HSYA provides significant neuroprotection against IS. These effects may be mediated, at least in part, through GPX4-associated ferroptosis pathways and the maintenance of iron homeostasis, thereby advancing understanding of its antioxidant mechanisms and supporting its therapeutic potential for IS.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"55314"},"PeriodicalIF":0.0,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lipid Metabolism, Statins and Bleeding Risk During Anticoagulant Therapy: Emerging Pharmacological Insights.","authors":"Carmine Siniscalchi, Manuela Basaglia, Alessandro Perrella, Francesca Futura Bernardi, Pierpaolo Di Micco","doi":"10.31083/Pharmazie54718","DOIUrl":"https://doi.org/10.31083/Pharmazie54718","url":null,"abstract":"<p><p>Lipid metabolism, coagulation, inflammation, and vascular integrity are closely interconnected biological systems. Although statins are primarily prescribed to reduce low-density lipoprotein cholesterol (LDL-C) and prevent atherosclerotic cardiovascular disease, increasing evidence indicates that these agents exert multiple pharmacological effects beyond lipid lowering, including modulation of endothelial function, platelet activation, tissue factor expression, thrombin generation, fibrinolysis, and thrombo-inflammation. These pleiotropic properties have generated growing interest in the potential role of statins as adjunctive modulators of thrombotic risk in patients receiving anticoagulant therapy. Venous thromboembolism, which includes deep vein thrombosis and pulmonary embolism, is a major clinical setting in which anticoagulant treatment reduces recurrence and mortality but exposes patients to bleeding complications. Observational studies and registry-based analyses suggest that statin use may be associated with improved outcomes among anticoagulated patients with venous thromboembolism, particularly for all-cause mortality and early survival after pulmonary embolism. At the same time, emerging evidence suggests that very low LDL-C concentrations may be associated with increased bleeding risk during anticoagulation, raising important questions regarding the relationship between lipid availability, vascular stability, platelet function, and hemostatic balance. This review summarizes current pharmacological and clinical evidence linking lipid metabolism, statin therapy, anticoagulation, thrombosis, and bleeding. Particular attention is devoted to the mechanisms through which statins influence hemostatic pathways, the clinical evidence derived from venous thromboembolism cohorts, and the potential implications of LDL-C levels for personalized bleeding risk assessment. Future strategies that integrate lipid profiles, thrombotic and bleeding risk, and pharmacological modulation of coagulation may contribute to more individualized antithrombotic management.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"54718"},"PeriodicalIF":0.0,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Potential Mechanism of Dihydroartemisinin in the Treatment of Thyroid Cancer Through Network Pharmacological Analysis.","authors":"Xiaozhang Xie, Jianhang Miao, Jianwei Deng, Bingxing Zheng, Linkun Zhong, Liqing Ning, Jingjing Sun","doi":"10.31083/Pharmazie51720","DOIUrl":"https://doi.org/10.31083/Pharmazie51720","url":null,"abstract":"<p><strong>Background: </strong>Thyroid cancer (THCA) has recently become one of the most common endocrine malignancies worldwide. Dihydroartemisinin (DHA) exhibits well-documented antitumor activity, but its therapeutic potential in THCA remains largely unclear.</p><p><strong>Methods: </strong>The relative mRNA and protein expression levels of the apoptosis-related markers Bax, Bcl-2, and Caspase-3 in the human THCA cell line TPC-1 were evaluated by quantitative real-time reverse transcription polymerase chain reaction (qRT-PCR) and Western blotting. Potential active targets of DHA were obtained from the TCMSP, SwissTargetPrediction and SuperPred databases. The THCA-related targets were collected from TCGA, DisGeNET and GeneCards. Protein-protein interaction (PPI) network construction, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed to predict key targets and pathways of DHA against THCA.</p><p><strong>Results: </strong>DHA treatment significantly modulated the expression of apoptosis-related markers, including upregulation of Bax and Caspase-3 and downregulation of Bcl-2, suggesting that DHA may promote apoptosis in TPC-1 cells. A total of 230 potential targets were identified from the overlap between DHA- and THCA-related targets. Indeed, <i>STAT3</i>, <i>PIK3R1</i>, <i>PIK3CA</i>, <i>PIK3CD</i>, <i>MAPK1</i>, <i>MAPK3</i>, <i>EGFR</i>, <i>HSP90AA1</i>, <i>ESR1</i>, <i>PTPN11</i> were identified as the top 10 hub genes. In total, 2214 biological processes, 118 cellular components, and 220 molecular functions were enriched. KEGG analysis indicated that DHA may suppress THCA primarily via the chemical carcinogenesis-receptor activation pathway.</p><p><strong>Conclusion: </strong>These findings suggest that DHA is a promising candidate for THCA treatment and warrant further investigation, including direct apoptosis assays and <i>in vivo</i> validation.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"51720"},"PeriodicalIF":0.0,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"HDAC1 Inhibition and Ferroptosis in Cardiac Hypertrophy: Bridging Basic Science to Clinical Translation.","authors":"Ziyang Wu, Chengchun Tang","doi":"10.31083/Pharmazie56983","DOIUrl":"https://doi.org/10.31083/Pharmazie56983","url":null,"abstract":"","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"56983"},"PeriodicalIF":0.0,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strengthening Pharmaceutical Quality Control Laboratories: Inspection-Ready Implementation of the World Health Organization Good Practices for Pharmaceutical Quality Control Laboratories and Pathways to Prequalification.","authors":"Imad Osman Abu Reid","doi":"10.31083/Pharmazie51355","DOIUrl":"https://doi.org/10.31083/Pharmazie51355","url":null,"abstract":"<p><p>Pharmaceutical quality control laboratories are essential to ensuring the safety and quality of medicines. The World Health Organization (WHO) Good Practices for Pharmaceutical Quality Control Laboratories (GPPQCL) provide a framework for establishing reliable and inspection-ready laboratory systems. This review critically evaluates the implementation of GPPQCL, examining practical challenges, policy gaps, and variability in adoption across different settings. A structured narrative approach was used to analyze World Health Organization (WHO) guidance, international standards, and relevant literature (2010-2026), with an emphasis on inspection expectations and real-world practices. Effective implementation depends on robust quality management systems, validated methods, competent personnel, and strong data integrity practices. However, challenges such as infrastructure limitations, method standardization, and uneven data governance persist, particularly in resource-limited environments. Evidence from WHO-prequalified laboratories shows that risk-based implementation and capacity-building initiatives can support compliance and international recognition. Overall, GPPQCL provides a practical framework for strengthening laboratory systems, enhancing regulatory confidence, and supporting global efforts to ensure the quality of medicines.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 9","pages":"51355"},"PeriodicalIF":0.0,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149083664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular Docking and Prediction of ADMET/Drug-Likeness Properties of Potential Bioactive Anti-Rheumatoid Arthritis Compounds Isolated From the Essential Oil of <i>Capparis Spinosa</i> L. Leaves.","authors":"Sahar AlMotwaa, Waad Al-Otaibi","doi":"10.31083/Pharmazie52565","DOIUrl":"https://doi.org/10.31083/Pharmazie52565","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Background: &lt;/strong&gt;Rheumatoid arthritis (RA) is a chronic autoimmune disease and one of the most prevalent complex inflammatory disorders. &lt;i&gt;Capparis spinosa&lt;/i&gt; L. (&lt;i&gt;C. spinosa&lt;/i&gt;) is recognized for its diverse medicinal properties. Traditionally, the plant has been employed to alleviateconditions such as paralysis, gastrointestinal infections, rheumatism, diabetes, anemia, pain, and eye infections. This study aimed to investigate the potential interactions and predicted pharmacological relevance of major compounds identified in the essential oil of &lt;i&gt;C. spinosa&lt;/i&gt; leaves using computational approaches.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Methods: &lt;/strong&gt;Drug-likeness potential was determined using Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) profiling and molecular docking. Gas chromatography-tandem mass spectrometry (GC-MS) was used to characterize the chemical composition of the essential oil. Drug-likeness studies were performed with SwissADME, while molecular docking was conducted using PyRx and BIOVIA Discovery Studio.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Results: &lt;/strong&gt;Fourteen major compounds were computationally screened against RA-associated molecular targets to evaluate their potential ligand-target interactions and drug-likeness characteristics. Absorption, Distribution, Metabolism, and Excretion (ADME) and drug-likeness were evaluated according to Lipinski's \"rule of five\" to determine whether the compounds exhibited suitable pharmacokinetic properties, consistent with criteria for pharmaceutical development. Six major phytoconstituents, i.e., tau-cadinol (M1), diisobutyl phthalate (M5), (Z)-3-hexenyl benzoate (M7), farnesyl acetone (M8), dibutyl phthalate (M10), and 1-(4-tert-butylphenyl)propan-2-one (M12), identified &lt;i&gt;via&lt;/i&gt; GC-MS were docked with tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), interleukin-1β (IL-1β), nitric oxide synthase (NOS), and cyclooxygenase-2 (COX-2). This is the first report describing an &lt;i&gt;in silico&lt;/i&gt; screening of GC-MS-identified compounds from &lt;i&gt;C. spinosa&lt;/i&gt; for their predicted pharmacological potential. Docking ligand scores for all ligands against the target proteins ranged from -4.7 to -8.0 kcal mol&lt;sup&gt;-1&lt;/sup&gt;. Diisobutyl phthalate (M5) showed the most favorable binding energies against IL-1β and NOS, relative to the other compounds and co-crystallized ligands; meanwhile, tau-cadinol (M1) exhibited the highest binding energy for TNF-α. Six prevalent phytochemicals demonstrated highly favorable predicted docking affinities toward IL-6 and COX-2, with M10 showing the lowest docking energy values among the tested compounds under the applied computational conditions.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Conclusions: &lt;/strong&gt;These findings suggest that the examined phytochemicals may exhibit potential affinity toward RA-related molecular targets. As this is a preliminary computational investigation, the results should be interpreted with caution and warrant further computational and experimental studies ","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 8","pages":"52565"},"PeriodicalIF":0.0,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148893357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Active Fraction From <i>Polyporus umbellatus</i> Against Hyperuricemia.","authors":"Jian Luo, Xin-Yu Chen, Run-Ze Jin, Si-Yao Zhang, Meng-Qi Zhou, Yun-Yan Chen, Yu Sun, Dao-Yin Yang, Xiao-Wen Gong, Jian-Hao Xu, Si-Hui Nian, Ling-Yun Zhou","doi":"10.31083/Pharmazie54200","DOIUrl":"https://doi.org/10.31083/Pharmazie54200","url":null,"abstract":"<p><strong>Objective: </strong>This study aimed to identify the active fraction of <i>Polyporus umbellatus</i> extract (PUE) for the treatment of hyperuricemia (HUA) and elucidate the associated mechanism of action.</p><p><strong>Methods: </strong>HUA was induced in mice using hypoxanthine and potassium oxonate. Serum uric acid (UA), urinary UA, creatinine (CRE), blood urea nitrogen (BUN), xanthine oxidase (XOD) activity, inflammatory cytokines (Interleukin-6 (IL-6), Tumor necrosis factor-α (TNF-α)), and renal urate transporters (Uric acid transporter 1 (URAT1), Organic anion transporter 1 (OAT1)) were subsequently measured. The active fraction was identified by bioactivity-guided fractionation using D101 macroporous resin chromatography. Two major compounds were isolated and evaluated for anti-inflammatory (nitric oxide (NO) production, cytokine mRNA expression) and antioxidant (Malondialdehyde (MDA), Superoxide dismutase (SOD)) activities in monosodium urate (MSU)-induced RAW264.7 macrophages.</p><p><strong>Results: </strong>PUE significantly ameliorated hyperuricemia in HUA mice, reducing serum UA, CRE, BUN, and renal URAT1 expression; increasing urinary UA excretion and OAT1 expression; inhibiting XOD activity; attenuating renal inflammation and histopathological damage. The 95% ethanol eluate was identified as the most active fraction and yielded ergosterol (A) and 5α,8α-epidioxy-(22E,24R)-ergosta-6,22-dien-3β-ol (B). Both compounds suppressed MSU-induced NO release, proinflammatory cytokine expression, and oxidative stress.</p><p><strong>Conclusion: </strong>The 95% ethanol eluate of <i>P. umbellatus</i> exerts anti-hyperuricemic effects through multiple mechanisms, possibly related to XOD inhibition, anti-inflammatory activity, antioxidant protection, and regulation of renal uric acid transport proteins. Ergosterol derivatives are proposed as the potential active components in this extract.</p>","PeriodicalId":524122,"journal":{"name":"Die Pharmazie","volume":"81 8","pages":"54200"},"PeriodicalIF":0.0,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148893342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}