ADMET and DMPK最新文献

{"title":"Prediction of metabolism and solubility of tablet-form drugs according to the biopharmaceutical drug disposition classification system.","authors":"Yaroslava Pushkarova, Galina Zaitseva, Kaouthar Bouaalam","doi":"10.5599/admet.2945","DOIUrl":"10.5599/admet.2945","url":null,"abstract":"<p><strong>Background and purpose: </strong>Prediction of metabolism and solubility of tablet-form drugs is essential in pharmaceutical development, impacting drug efficacy, safety and formulation strategies. This study aimed to develop predictive models for classifying drugs according to metabolism and solubility within the Biopharmaceutical Drug Disposition Classification System.</p><p><strong>Experimental approach: </strong>A dataset of 220 tablet-form drugs characterized by eleven molecular descriptors was analysed. The Kruskal-Wallis test identified relevant descriptors for metabolism (extensive vs. poor) and solubility (high vs. low) classifications. Probabilistic Neural Networks were employed for predictive modelling, with model parameters optimized to enhance accuracy.</p><p><strong>Key results: </strong>Six molecular descriptors (hydrogen bond acidity, logarithm of the partition coefficient, distribution coefficient, hydrogen bond acceptor count, molecular weight and polar surface area) predicted metabolism class with 97 % accuracy. For solubility classification, five descriptors (dipolarity/polarizability, logarithm of the partition coefficient, distribution coefficient, hydrogen bond donor count and molecular weight) achieved 88 % accuracy. Removal of key descriptors significantly reduced model performance, confirming their importance.</p><p><strong>Conclusion: </strong>The developed models demonstrate robust predictive capability for drug metabolism and solubility classes as defined by the Biopharmaceutical Drug Disposition Classification System, supporting early-stage drug screening based solely on molecular structure. The lower accuracy observed for solubility prediction reflects its complex and multifactorial nature, highlighting the need for further refinement of molecular descriptors. These findings advance the field by providing effective computational tools to predict key biopharmaceutical properties, potentially accelerating the drug development process.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 5","pages":"2945"},"PeriodicalIF":4.3,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12662240/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145647166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Epithelial-mesenchymal dynamics in cancer: Role of signalling pathways, stromal interactions and natural therapies.","authors":"Iram Khan, Anindita Behera, Kamesh R Babu, Faisal Rehman, Farah Rehan, Shraddha M Gupta, Siddharth Singh","doi":"10.5599/admet.2836","DOIUrl":"10.5599/admet.2836","url":null,"abstract":"<p><strong>Background and purpose: </strong>Epithelial-mesenchymal transition (EMT) and its reverse process, mesenchymal-epithelial transition (MET), play crucial roles in embryogenesis, tissue regeneration, and cancer progression. Dysregulation of EMT/MET pathways in cancer contributes to metastasis and drug resistance.</p><p><strong>Approach: </strong>This review discusses the signalling pathways that are correlated with EMT in cancer and investigates the therapeutic potential of naturally occurring compounds in modulating these processes. The intricate relationship between stromal cells, drug resistance, and EMT is discussed, highlighting the emerging role of MET in stabilizing distant metastasis. Additionally, the impact of p53 on EMT and its implications in cancer metastasis are discussed. The review also provides an overview of therapeutic molecules, both plant- and animal-derived, that regulate EMT, highlighting their potential in cancer treatment. Specifically, plant-based compounds from <i>Atractylodes lancea</i>, <i>Dendrobium officinale</i>, <i>Panax ginseng</i> and <i>Platycodon grandiflorus</i>, as well as animal-derived substances like bee venom and snake venom, are highlighted. Furthermore, marine-based compounds, including caprolactin C, laminaran sulfate, BFP-3, bryostatin 1, sinulariolide, manzamines, halichondrin B, eribulin and biemamides, exhibit significant anti-metastatic effects by targeting EMT-associated pathways.</p><p><strong>Conclusion: </strong>The diverse range of therapeutic molecules discussed in this review provides promising therapeutic avenues for developing targeted strategies against EMT in cancer.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 5","pages":"2836"},"PeriodicalIF":4.3,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12662238/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145647072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of a biorelevant dissolution method for inhalation products: Proof of concept using drugs with diverse solubilities.","authors":"Amar Elezović, Sandra Cvijić, Saša Pilipović, Alisa Elezović, Jelena Parojčić","doi":"10.5599/admet.2861","DOIUrl":"10.5599/admet.2861","url":null,"abstract":"<p><strong>Background and purpose: </strong>Due to their unique application and action, inhalation products require specific quality tests, such as Uniformity of Delivered Dose and Aerodynamic Assessment of Fine Particles. While there's no current official requirement for dissolution tests, new draft guidelines are introducing them as a supportive or required measure; however, a universally accepted methodology for such testing remains elusive. The aim of the present study was to explore the discriminatory ability and <i>in vivo</i> predictability of the newly developed dissolution assembly.</p><p><strong>Experimental approach: </strong>The applied experimental approach to biopharmaceutical characterization of inhalation products involved developing a biorelevant method for testing the dissolution rate of the selected active substances. Seven commercially available products, formulated as pressurized metered dose inhalers, containing either salmeterol xinafoate or beclomethasone dipropionate, have been studied. The research strategy combined in vitro testing within silico simulations.</p><p><strong>Key results: </strong>The developed dissolution method did not detect significant differences in the case of products containing highly soluble salmeterol, but it did reveal differences for products containing poorly soluble beclomethasone dipropionate. Moreover, a correlation was identified between the dissolution test results and absorption constants for beclomethasone dipropionate.</p><p><strong>Conclusion: </strong>The obtained results indicated that the investigated products would not be considered bioequivalent based on the aerodynamic particle size distribution. It was demonstrated that a discriminative dissolution method can be developed through a well-established paradigm of dissolution testing, while taking into account the specificities of the inhalation route of administration.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 5","pages":"2861"},"PeriodicalIF":4.3,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12662246/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145647089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical determination of calcium folinate in the presence of methotrexate and 5-fluorouracil using UiO-66/CdS composite modified screen-printed carbon electrode.","authors":"Fatma A Khazaal, Qasim Mezban Salih, Raad Radi Karabat, Raed Muslim Mhaibes","doi":"10.5599/admet.2897","DOIUrl":"10.5599/admet.2897","url":null,"abstract":"<p><strong>Background and purpose: </strong>Calcium folinate is frequently co-administered with methotrexate and 5-fluorouracil in chemotherapeutic treatments to enhance therapeutic efficacy and reduce toxicity. Therefore, simple and accurate determination of calcium folinate in the presence of these agents is essential for therapeutic monitoring and pharmaceutical analysis.</p><p><strong>Experimental approach: </strong>The current work is focused on designing and developing a simple and sensitive modified screen-printed carbon electrode (SPCE)-based electrochemical sensor for the determination of calcium folinate in the presence of methotrexate and 5-fluorouracil. For this purpose, a nanostructure of UiO-66/CdS composite was prepared. Then, we used the prepared UiO-66/CdS composite to modify SPCE towards the development of an electrochemical sensing platform (UiO-66/ /CdS/SPCE).</p><p><strong>Key results: </strong>The cyclic voltammetry studies revealed that the UiO-66/CdS/SPCE could significantly improve the detection of calcium folinate with a higher response peak current at a lower overpotential compared to other SPCEs. Also, the UiO-66/CdS/SPCE sensor demonstrated a good ability in the quantitative determination of calcium folinate by the differential pulse voltammetry (DPV) method. Based on DPV measurements, a linearity plot was achieved for the concentration range of 0.1 to 300.0 μM calcium folinate with a limit of detection (LOD) of 0.04 μM and a high sensitivity of 0.0503 μA μM^-1. Furthermore, the UiO-66/ /CdS/SPCE sensor showed three well-separated oxidation peaks for the simultaneous determination of calcium folinate, methotrexate, and 5-fluorouracil without interfering with each other. Finally, the UiO-66/CdS/SPCE sensor was used to detect calcium folinate, methotrexate, and 5-fluorouracil in real samples, and the values of recovery and relative standard deviation (RSD) were satisfactory.</p><p><strong>Conclusion: </strong>The results from this study show that the designed sensor can be used as an efficient and promising platform for the determination of these species.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 6","pages":"2897"},"PeriodicalIF":4.3,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12755308/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145888210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparison of lipophilic and size-exclusion membranes: creating sink conditions with cyclodextrin.","authors":"Petra Tőzsér, Szabina Kádár, Edina Szabó, Hajnalka Pataki, Péter Sóti, Péter Laczay, György T Balogh, Bálint Sinkó, Enikő Borbás","doi":"10.5599/admet.2859","DOIUrl":"10.5599/admet.2859","url":null,"abstract":"<p><strong>Background and purpose: </strong>The effective transport of an active pharmaceutical ingredient across various membrane systems is critical for enhancing its bioavailability, especially in formulations involving solubilizing agents. This study aims to investigate the permeability differences of carvedilol between lipophilic (organic solvent) and size-exclusion membranes in the presence of 2-hydroxypropyl-beta-cyclodextrin in just the acceptor compartment or both sides of the membrane using <i>in vitro</i> side-by-side diffusion cell assays.</p><p><strong>Experimental approach: </strong>Cyclodextrins (CDs) on the acceptor side significantly improved flux and permeability for the lipophilic membrane. In contrast, with size-exclusion membranes that allow the permeation of CDs and their complexes, the benefits of sink conditions were completely diminished. When the same amount of CD was introduced on both sides, the negative effect of CD on the donor side surpassed the positive sink effects on the acceptor side, resulting in reduced flux and permeability across all membrane types.</p><p><strong>Key results: </strong>A novel aspect of this work is the assessment of the applicability of a previously described general mathematical equation for sink conditions. Findings indicated that the supersaturation ratio between donor and acceptor compartments serves as the primary driving force of the membrane transport. For the lipophilic membrane, CDs on the acceptor side not only influenced the driving force of the transport by enhancing the solubility of carvedilol in the acceptor compartment but also altered the proportionality coefficient, hence modifying the apparent thickness of the unstirred water layer. The impact was not observed with size-exclusion membranes. The applicability of the mathematical model was additionally evaluated for CD placed on both sides of the membrane.</p><p><strong>Conclusion: </strong>The model effectively describes the impact of CD placed on the donor side when the solid membrane permits only the drug's permeation, as in the case of a lipophilic membrane, where the solubilizing additive cannot pass through. It is also applicable when the solubilizing additive permeates slowly and has minimal influence on transport, such as with a size-exclusion membrane with a 1 kDa molecular weight cut-off. The model remains suitable if the additive is small enough in hydrodynamic size to permeate the membrane, but no concentration gradient exists to drive its transport, for example, with a 6 kDa size-exclusion membrane containing the same CD concentration on both sides of the membrane.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 5","pages":"2859"},"PeriodicalIF":4.3,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12662242/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145647020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lipid functionalized silver-coated carbon dot-capped manganese ferrite as drug-free core-shell nanoparticles for multimodal imaging and therapy.","authors":"Anbazhagan Thirumalai, Pazhani Durgadevi, Venkatakrishnan Kiran, Koyeli Girigoswami, Alex Daniel Prabhu, Agnishwar Girigoswami","doi":"10.5599/admet.2905","DOIUrl":"10.5599/admet.2905","url":null,"abstract":"<p><strong>Background and purpose: </strong>Multifunctional nanoparticles (NPs) are gaining significant interest in biomedical research because of their versatility and potential across various applications, especially in cancer imaging and therapy. These composite systems consist of assorted materials, such as metallic elements, metal oxides, polymers, and carbon-based nanostructures, that are combined to form a single platform featuring improved and synergistic properties.</p><p><strong>Experimental approach: </strong>This study aims to design and synthesize a novel class of silver-coated carbon dot-capped manganese ferrite NPs that were functionalized with lipids (L-Ag@MnFe@C) to improve their cytocompatibility and enable cancer therapy with multimodal imaging functionalities. Carbon-capped manganese ferrite NPs (MnFe@C) were synthesized by a one-pot hydrothermal method, followed by the fabrication of nano-silver coated over the surface (Ag@MnFe@C) using a modified Tollens method, and lipid functionalization was done by the rotary evaporation method for the development of low-cost and biodegradable theranostic agents.</p><p><strong>Key results: </strong>The physicochemical characterization reveals that the engineered L-Ag@MnFe@C exhibits a higher stability, with a zeta potential of -50.6 mV, a hydrodynamic diameter of 279.4 nm and a quantum yield of 69.4 %. The engineered NPs exhibit contrast capabilities in longitudinal magnetic resonance imaging, transverse magnetic resonance imaging, fluorescence imaging, and computed tomography imaging. Furthermore, L-Ag@MnFe@C demonstrated excellent anticancer activity on the lung cancer cell line (A549).</p><p><strong>Conclusion: </strong>Based on these studies, it can be concluded that the engineered L-Ag@MnFe@C exhibits multimodal imaging abilities and demonstrates anticancer properties, thereby confirming it as a potential theranostic agent.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 5","pages":"2905"},"PeriodicalIF":4.3,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12662244/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145647210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Topical composite hydrogel incorporating human amniotic membrane and spidroin for the treatment of chronic wounds in diabetes mellitus.","authors":"Suyarta Efrida Pakpahan, Anggraini Barlian, Arie Wibowo, Indra Wibowo","doi":"10.5599/admet.2822","DOIUrl":"10.5599/admet.2822","url":null,"abstract":"<p><strong>Background and purpose: </strong>Traditional diabetic chronic skin wound dressings often lack the bioactivity required to promote regeneration in these complex wounds. The use of human amniotic membrane (hAM) has been identified as a promising natural option for diabetic skin wound regeneration, but hAM is susceptible to rejection and release of growth factors, so cells must be decellularized and supplemented with biomaterials such as spidroin, a hydrogel delivery system. This study aims to analyse and evaluate a composite hydrogel combining hAM and spidroin proteins to enhance the healing of diabetic chronic wounds.</p><p><strong>Experimental approach: </strong>Hydrogels were synthesized and characterized using scanning electron microscope (SEM), attenuated total reflectance Fourier transform infrared spectroscopy, physical tests, gel fraction and swelling ratio. Wound healing studies were performed using alloxan-induced diabetic mice. Full-thickness wounds were created and treated with the hydrogel formulations. Macroscopic progress of wound healing was monitored, and histological analysis was performed to assess reepithelialization, inflammatory response, and collagen deposition.</p><p><strong>Key results: </strong>The functional groups of hAMD components were identified at the characteristic absorption peaks of 1650 cm^-1, while spidroin showed a peak at 1530 cm^-1. In particular, the 10 % composite (hAMD + spidroin) showed significantly faster wound closure compared to the control group and other treatment groups. Histological findings confirmed that the 10 % composite was able to facilitate cell proliferation, reduce inflammation, enhance epithelial regeneration, angiogenesis, fibroblast formation and regular collagen matrix and decrease transforming growth factor beta in the remodelling phase.</p><p><strong>Conclusion: </strong>Composite (hAMD + spidroin) 10 % showed promising wound healing efficacy in diabetic conditions, indicating its potential as a bioactive wound dressing for chronic diabetes.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 5","pages":"2822"},"PeriodicalIF":4.3,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12662245/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145647002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring hepatic stellate cell-driven fibrosis: therapeutic advances and future perspectives.","authors":"Alka Singh, Ansab Akhtar, Prashant Shukla","doi":"10.5599/admet.2874","DOIUrl":"10.5599/admet.2874","url":null,"abstract":"<p><strong>Background and purpose: </strong>Liver fibrosis, a progressive liver disease arising from viral or metabolic causes, poses a major global health challenge due to its potential progression to cirrhosis and hepatocellular carcinoma. Due to the complex aetiology and epidemiology of liver fibrosis, most therapies fail in the clinic, and very few drugs have been approved by the US FDA.</p><p><strong>Approach: </strong>This review highlights the pathophysiological features of liver fibrosis, with a focus on novel targets in hepatic stellate cells (HSCs), key players in the fibrogenesis process, to develop successful therapeutic approaches using both pharmacological agents and active targeting strategies. The review also examines current therapeutic strategies targeting liver fibrosis, both in preclinical lab setups and clinical trials. Furthermore, various receptors involved in HSC-mediated liver fibrosis and active drug delivery targeting strategies are reviewed to enhance therapeutic outcomes. This article also integrates existing knowledge to identify research gaps and guide future investigations and clinical translation in liver fibrosis treatment. In addition, novel pathways pertaining to liver fibrosis, such as the RSPO3-LGR4/5-β-catenin cascade, the CD47/YAP/TEAD4 signalling axis, and HAb18G/CD147, are briefly elaborated in the context of therapeutic approaches for arresting HSC activation. Single-cell RNA sequencing of HSCs is presented to provide a clearer picture of liver fibrosis.</p><p><strong>Conclusion: </strong>The review highlights critical research gaps in liver fibrosis therapy and promising active targeting strategies and pharmacological interventions to improve therapeutic outcomes. Overall, this review provides a robust foundation for scientists and clinicians to advance active targeting of the disease pathology and to develop new pharmaceutical formulations that are pharmacologically safer and more efficacious.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 4","pages":"2874"},"PeriodicalIF":4.3,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12335298/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144815544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bile micelle binding of structurally diverse ionized drug molecules.","authors":"Mayu Konishi, Kiyohiko Sugano","doi":"10.5599/admet.2802","DOIUrl":"10.5599/admet.2802","url":null,"abstract":"<p><strong>Background and purpose: </strong>Predicting the food effect on oral drug absorption by physiologically based biopharmaceutical modelling (PBBM) remains challenging. The bile micelle unbound fraction (<i>f</i> _u) is one of the primary determinants of the negative food effect for high solubility drugs. To calculate the pH-<i>f</i> _u profile for PBBM, the bile micelle partition coefficients of ionized and un-ionized drug species (<i>K</i> _bm,z, <i>z</i>: charge) are required. The general rules for the ratio of the partition coefficients of ionized and un-ionized drug species have been reported for the octanol/water (<i>P</i> _oct) and phosphatidylcholine liposome/water partition coefficients. However, the general rule for the bile micelle partition coefficient has not yet been investigated. The purpose of the present study was to clarify the general rule for <i>K</i> _{bm,<i>z</i>≠0}/<i>K</i> _bm,0.</p><p><strong>Experimental approach: </strong>The pH-<i>f</i> _u profiles of 4 monovalent weak acids, 8 monovalent weak bases, 2 divalent weak bases, and 2 zwitterion drugs were measured by dynamic dialysis in the pH range about p<i>K</i> _a ± 2. Bile micelles consisted of taurocholic acid (TC)/egg lecithin (15 mM/ 3.75 mM). <i>K</i> _bm,<i>z</i> was calculated from the pH-<i>f_u</i> profiles.</p><p><strong>Key results: </strong><i>K</i> _bm,-1/<i>K</i> _bm,0 was ≤ 0.03 for all monovalent acids. <i>K</i> _bm,+1/<i>K</i> _bm,0 ranged from 0.24 to 2.6. <i>K</i> _bm,+2/<i>K</i> _bm,0 was about 0.3. For the two zwitterionic drugs, <i>K</i> _bm,-1/<i>K</i> _bm,±0 was 1.1 and 2.3, and <i>K</i> _bm,+1/<i>K</i> _bm,±0 was 3.9 and 20, respectively. <i>K</i> _bm,0 roughly correlated with <i>P</i> _oct (r = 0.68).</p><p><strong>Conclusion: </strong>The bile micelle binding of anionic drug species (<i>z</i> = -1) is generally negligible, whereas that of cationic drug species (<i>z</i> = +1) can be significant. A general rule for <i>K</i> _bm,+1/<i>K</i> _bm,0 was not found. <i>K</i> _bm,+1/<i>K</i> _bm,0 can be greater than 1 in several cases, suggesting an attractive electrostatic interaction between the positive charge of a drug and the negative charge of TC. These points should be considered in food effect prediction.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 4","pages":"2802"},"PeriodicalIF":4.3,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12335301/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144815510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Monolayer graphene/platinum-modified 3D origami microfluidic paper-based biosensor for smartphone-assisted biomarkers detection.","authors":"Arda Fridua Putra, Annisa Septyana Ningrum, Suyanto, Vania Mitha Pratiwi, Muhammad Yusuf Hakim Widianto, Irkham, Wulan Tri Wahyuni, Isnaini Rahmawati, Fu-Ming Wang, Chi-Hsien Huang, Ruri Agung Wahyuono","doi":"10.5599/admet.2833","DOIUrl":"10.5599/admet.2833","url":null,"abstract":"<p><strong>Background and purpose: </strong>Imbalances in biomarkers such as dopamine and NADH are linked to neurological and metabolic disorders, including Parkinson's disease, depression, and stroke, underscoring the need for rapid and accessible diagnostics. This study presents a smartphone-assisted, 3D origami microfluidic paper-based analytical device (μPAD) modified with photochemically synthesized graphene/platinum (G/Pt) nanocatalysts for multiplex colorimetric detection of dopamine and NADH.</p><p><strong>Experimental approach: </strong>G/Pt catalysts were prepared using 2.5 to 10 mM Pt precursors under UV irradiation. μPADs were laser-printed on commercial-grade filter paper, patterned, and folded into three layers of 3D Origami.</p><p><strong>Key results: </strong>The optimized 10 mM G/Pt catalyst significantly improved reaction rates (18× faster), leading to a rapid detection time constant of 6.69 and 4.59 s for dopamine and NADH, respectively. Furthermore, the utilization of 10 mM G/Pt catalyst increased colour intensity (2.48×) on the μPAD platform. An application for smartphones integrated with an image processing algorithm was developed using Kotlin to enable automatic quantification of colorimetric signals from saturation and hue channels for dopamine and NADH, respectively. The detection exhibited the lowest mean absolute percentage errors of 0.52 and 0.07 % as well as a limit of detection of 0.56 and 0.99 mM for dopamine and NADH, respectively.</p><p><strong>Conclusion: </strong>The 3D origami structure facilitates efficient fluid handling and multiplex detection, while the nanocatalyst modification improves pore infiltration and sensitivity. This work demonstrates, for the first time, a cost-effective, portable, and high-performance biosensor for dual biomarker detection, offering substantial promise for point-of-care diagnostics in neurological and metabolic health monitoring.</p>","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"13 4","pages":"2833"},"PeriodicalIF":4.3,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12335305/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144815546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}