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Quality by design in public healthcare: a rapid development framework for future pandemics. 公共卫生保健中的设计质量:未来流行病的快速发展框架。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-06-25 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16451
Niranjan Panda, Madhusudan Maity, Vijay Kotra, Bikash Ranjan Jena, Debashish Ghose, Gouri Sankar Jena
{"title":"Quality by design in public healthcare: a rapid development framework for future pandemics.","authors":"Niranjan Panda, Madhusudan Maity, Vijay Kotra, Bikash Ranjan Jena, Debashish Ghose, Gouri Sankar Jena","doi":"10.3389/jpps.2026.16451","DOIUrl":"10.3389/jpps.2026.16451","url":null,"abstract":"<p><p>The growing number of pandemics and emergencies traversing the world in recent decades has illustrated the vulnerability of the conventional pharmaceutical development process and the necessity of an efficient, robust, and patient-driven pandemic-ready development model. QbD is a scientifically proven proactive approach that has been comprehensively examined recently for its potential to effectively optimize formulations in an accelerated time frame. Risk factor assessment and constant surveillance serve to maintain the product quality & standards before the final stage of large-scale production and offer regulatory pliability. The extension of this method, AQbD, paired side by side also assists in accelerated assessment and quality assurance which is a critical component in any global circumstance. In recent years studies have been done by applying this novel approach, but very little has been reported on the establishment of this approach as a Pandemic-Ready Development Framework. This mini review addresses the regulatory basis alongside the key principles of QbD, which aligns its working approach as optimally compatible with any pandemic situation. Furthermore, it emphasizes the widespread implementation of this approach as AQbD, which stands for swift testing coupled with quality assurance standards. It also focuses on the limitations and critical areas where QbD can be applied to cope with existing demands in near future. Further, it applies this approach in several formulation developments pertinent to pandemic or endemic conditions and discusses the challenges of implementation and future directions. Overall, this discussion stresses the potential of this approach as a very promising framework for future pandemics.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16451"},"PeriodicalIF":5.5,"publicationDate":"2026-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13345975/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148425934","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
Old drugs, new weapons: current trends in repurposing therapies against antimicrobial resistance. 旧药物,新武器:目前针对抗菌素耐药性重新利用疗法的趋势。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-06-05 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16158
Gatadi Srikanth, Niggula Praveen Kumar, Bhima Sridevi, Padma Bhavani Borra, Parul Thapar, Aabid Wani
{"title":"Old drugs, new weapons: current trends in repurposing therapies against antimicrobial resistance.","authors":"Gatadi Srikanth, Niggula Praveen Kumar, Bhima Sridevi, Padma Bhavani Borra, Parul Thapar, Aabid Wani","doi":"10.3389/jpps.2026.16158","DOIUrl":"10.3389/jpps.2026.16158","url":null,"abstract":"<p><p>Antimicrobial resistance (AMR) is a globally accelerating issue threatening the efficacy of existing treatments. Repurposing approved drugs for the development of new antimicrobial agents reduces the development cost and risk. The clinical potential of repurposed medications for AMR is essential to implement coordinated strategies that encompass scientific validation and supportive regulatory frameworks. Repurposing serves as a strong method to prolong the effectiveness of current antimicrobial classes and to fill significant voids in the global AMR pipeline. The present review summarizes current trends in repurposing strategies against AMR, utilization of non-antibiotic drugs with antibacterial activity, agents that potentiate conventional antibiotics through membrane disruption or efflux pump inhibition, and host-directed therapies that modulate immune responses and combination therapies. We also highlight advances in systems pharmacology, <i>in silico</i> screening, and phenotypic assays that enable rational identification of repurposing candidates. Although significant regulatory and economic barriers persist, including weak intellectual property protection, limited commercial incentives, and market constraints, swift attempts are being made to address the issues.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16158"},"PeriodicalIF":5.5,"publicationDate":"2026-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13292040/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148334071","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
Dissolution-permeation approach for biopharmaceutical evaluation: a feasibility study using naproxen. 溶出-渗透法用于生物制药评价:萘普生的可行性研究。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-05-11 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16570
Andrejs Sitovs, Katarina Gurkina, Liga Petersone, Valentyn Mohylyuk
{"title":"Dissolution-permeation approach for biopharmaceutical evaluation: a feasibility study using naproxen.","authors":"Andrejs Sitovs, Katarina Gurkina, Liga Petersone, Valentyn Mohylyuk","doi":"10.3389/jpps.2026.16570","DOIUrl":"10.3389/jpps.2026.16570","url":null,"abstract":"<p><strong>Objectives: </strong>Dissolution and/or release profile alone are insufficient to predict the <i>in vivo</i> absorption of poorly soluble drugs. Thus, permeation test becomes a critical component for biopharmaceutical assessment. Currently, none of the dissolution-permeation systems include the compendial dissolution, or provide large acceptor volumes, or are compatible with <i>ex vivo</i> membranes. Addressing the limitations of the existing dissolution-permeation testing systems, we propose the integration of the Ussing (permeability) chamber to the dissolution apparatus.</p><p><strong>Methods: </strong>The assembled dissolution-permeation system evaluated the effect of 5% and 10% soy L-α-phosphatidylcholine in dodecane (LiDo) and permeable membrane material on apparent permeability coefficients of naproxen, a BCS II class drug.</p><p><strong>Results: </strong>Naproxen release from the tablets reached approximately 100% within 30 min. Naproxen P<sub>app</sub> across a 0.45 µm PVDF membrane was 0.91 ± 0.35 × 10<sup>-8</sup> cm/s for 5% LiDo, and 0.75 ± 0.23 × 10<sup>-8</sup> cm/s for 10% LiDo. The 0.20 μm PC membrane with 5% LiDo showed a P<sub>app</sub> of 1.99 ± 0.57 × 10<sup>-8</sup> cm/s.</p><p><strong>Conclusion: </strong>The proposed compendial dissolution-permeation system with an Ussing chamber allowed for the simultaneous determination of dissolution and permeability of naproxen. All P<sub>app</sub> values obtained were approximately 100-fold lower than those reported in the literature. The results may have been influenced by the differences in sink conditions and permeable membrane composition. The use of a PC membrane resulted in higher permeability, compared to the PVDF membrane. Adequately improved, this methodology could be transferred for the <i>ex vivo</i> membrane dissolution-permeability testing.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16570"},"PeriodicalIF":5.5,"publicationDate":"2026-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13199132/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148037264","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
Artificial intelligence directed computational protein design: lessons from COVID-19 for pandemic-ready vaccines and antibody therapeutics. 人工智能指导的计算蛋白设计:从COVID-19获得的大流行疫苗和抗体疗法的经验教训。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-05-08 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16146
Rahul Kaushik, Suyong Re
{"title":"Artificial intelligence directed computational protein design: lessons from COVID-19 for pandemic-ready vaccines and antibody therapeutics.","authors":"Rahul Kaushik, Suyong Re","doi":"10.3389/jpps.2026.16146","DOIUrl":"10.3389/jpps.2026.16146","url":null,"abstract":"<p><p>Artificial intelligence (AI) directed computational protein design has emerged as a transformative force in modern therapeutic discovery, reshaping how vaccines and antibody-based interventions are conceived, optimized, and deployed against emerging infectious diseases. The COVID-19 pandemic served as an unprecedented real-world stress test for these technologies, highlighting their potential to accelerate antigen design, guide antibody optimization, and anticipate viral evolution in near real time. AI driven approaches contributed to faster characterization of viral variants, supported vaccine and broadly neutralizing antibodies developments. Despite the significant contributions, the pandemic also revealed important limitations that must be addressed before such approaches can be relied upon as cornerstones of global preparedness. Challenges related to data bias, model interpretability, experimental validation bottlenecks, and integration with existing regulatory frameworks became increasingly apparent. In several cases, the gap between computational promise and translational readiness underscored the need for closer coupling between <i>in silico</i> design, laboratory experimentation, and clinical evaluation. Moreover, the rapid pace of AI innovation often outstripped established regulatory pathways, raising questions about standardization, validation, and long-term safety. This mini review provides a focused overview of recent advances in AI enabled computational protein design, with an emphasis on applications relevant to pandemic response. Drawing on lessons from COVID-19 case studies, it examines translational and regulatory considerations, highlights unresolved controversies, and identifies critical research gaps. Collectively, these insights outline a path toward transitioning AI designed vaccines and antibody therapeutics from reactive emergency tools into proactive, scalable infrastructures for future pandemic preparedness.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16146"},"PeriodicalIF":5.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13194078/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148018602","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
Practical considerations for managing patients being treated with topical roflumilast. 管理外用罗氟司特治疗患者的实际考虑。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-05-08 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16026
Sameh Hanna, Ahmad Chehade, Christina Han, Susan Poelman, Ravina Sanghera, Carolyn Whiskin, Aaron Sihota
{"title":"Practical considerations for managing patients being treated with topical roflumilast.","authors":"Sameh Hanna, Ahmad Chehade, Christina Han, Susan Poelman, Ravina Sanghera, Carolyn Whiskin, Aaron Sihota","doi":"10.3389/jpps.2026.16026","DOIUrl":"10.3389/jpps.2026.16026","url":null,"abstract":"<p><p>Topical roflumilast, available in 0.3% cream, 0.15% cream, and 0.3% foam formulations, is a novel, highly potent phosphodiesterase-4 (PDE4) inhibitor that was recently approved in Canada for the treatment of plaque psoriasis, atopic dermatitis, and seborrheic dermatitis, respectively. Topical formulations were shown in clinical trials to significantly improve disease symptoms with excellent tolerability and minimal adverse events. An oral form of roflumilast has also been approved in Canada since 2010 for the maintenance treatment of chronic obstructive pulmonary disease. The product monograph for topical roflumilast currently references a substantial amount of safety information specific to the oral formulation due to a lack of long-term safety data. Furthermore, no formal drug-drug interaction studies have been conducted with topical roflumilast, nor in special populations in whom oral roflumilast is contraindicated. Due to the impact that the route of administration has on the pharmacokinetic profile of a drug and its subsequent ability to produce undesirable or toxic effects, this presents a challenge for pharmacists who are tasked with determining how to best interpret and communicate this safety information to patients. This paper reviews the safety information contained within the product monograph for topical roflumilast in the context of the pharmacokinetic differences between the topical and oral formulations. The impact of the route of administration on adverse effect risk, drug-drug interactions, and contraindications is highlighted, and practical guidance is provided to assist pharmacists in interpreting and applying this information in practice.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16026"},"PeriodicalIF":5.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13194079/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148018605","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
Qualitative phytochemical profiling, antioxidant activity, and development of a water-in-oil cream containing combined oil and water infusions of frankincense resin (Boswellia spp.): a preliminary in vitro study. 定性植物化学分析,抗氧化活性,以及含有乳香树脂(乳香属)油和水混合输注的油包水乳膏的开发:初步体外研究。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-04-28 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.15609
Shamama Javed, Ahmad Salawi, Sivakumar S Moni, Waquar Ahsan, Gulrana Khuwaja, Md Shamsher Alam, Durgaramani Sivadasan, Aamena Jabeen, Maram Yahya Aziabi, Hind Mohammed Suwaydi, Taif Eassa M Alajam, Amwaj Yahya Marwai Nammazi, Nourah Mohammed Ahmed Kadumi
{"title":"Qualitative phytochemical profiling, antioxidant activity, and development of a water-in-oil cream containing combined oil and water infusions of frankincense resin (<i>Boswellia spp.</i>): a preliminary <i>in vitro</i> study.","authors":"Shamama Javed, Ahmad Salawi, Sivakumar S Moni, Waquar Ahsan, Gulrana Khuwaja, Md Shamsher Alam, Durgaramani Sivadasan, Aamena Jabeen, Maram Yahya Aziabi, Hind Mohammed Suwaydi, Taif Eassa M Alajam, Amwaj Yahya Marwai Nammazi, Nourah Mohammed Ahmed Kadumi","doi":"10.3389/jpps.2026.15609","DOIUrl":"10.3389/jpps.2026.15609","url":null,"abstract":"<p><strong>Background: </strong>Frankincense (gum olibanum, <i>Boswellia</i> spp.) is an oleo-gum resin widely used in traditional medicine and cosmetics owing to the presence of volatile oils and pentacyclic triterpenic acids (boswellic acids) with reported anti-inflammatory and antioxidant properties.</p><p><strong>Objectives: </strong>The aim of this study was to extract and characterize oil- and water-soluble fractions of frankincense resin, evaluate their antioxidant potential, and incorporate them into a stable water-in-oil (<i>w/o</i>) nourishing/antiaging cream.</p><p><strong>Methods: </strong>Frankincense resin was ground and macerated separately in sweet almond oil and Madinah rosewater to yield oil and water infusions, respectively. Qualitative phytochemical tests and FT-IR spectroscopy were employed for the characterization of both extracts and final formulations. Antioxidant potential was assessed using the DPPH assay followed by the development of a <i>w/o</i> cream (beeswax:almond oil:rosewater base) using combined infusions, which was evaluated for pH, viscosity, phase separation, spreadability, and thermal stability.</p><p><strong>Results: </strong>Phytochemical screening showed presence of triterpenoids and boswellic type functionalities predominantly in the oil infusion, whereas saponins and minor alkaloids were detected in the water infusion. In the DPPH assay, significant free radical scavenging activity was observed as sample 2 showed 71% inhibition at 343.46 ± 34.2 μg/mL. The developed cream formulation showed good physical stability, acceptable pH and shear-thinning rheology.</p><p><strong>Conclusion: </strong>A stable, all-natural <i>w/o</i> cream formulation was developed incorporating combined oil- and water-soluble frankincense infusions. Future studies are warranted to perform quantitative chemical analysis, <i>in vitro</i> skin permeation, and formal skin safety testing to ensure uninform active content, good bioavailability and tolerability prior to clinical studies.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"15609"},"PeriodicalIF":5.5,"publicationDate":"2026-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13160876/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147934845","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
Ketamine enhancement of dexmedetomidine attenuation of methamphetamine-induced agitation in rats. 氯胺酮增强右美托咪定对大鼠甲基苯丙胺诱导的躁动的抑制作用。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-04-15 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16294
Madhuri Budamkayala, Jyostna Yalakala, Madison B Skeen, Surya Karuturi, Chelsey McPhillen, Kristen Bailey, Todd H Davies, Michael D Hambuchen
{"title":"Ketamine enhancement of dexmedetomidine attenuation of methamphetamine-induced agitation in rats.","authors":"Madhuri Budamkayala, Jyostna Yalakala, Madison B Skeen, Surya Karuturi, Chelsey McPhillen, Kristen Bailey, Todd H Davies, Michael D Hambuchen","doi":"10.3389/jpps.2026.16294","DOIUrl":"10.3389/jpps.2026.16294","url":null,"abstract":"<p><p>Methamphetamine (METH)-induced agitation, a major concern in acute METH intoxication, is currently treated with benzodiazepines. Due to current polysubstance use patterns in METH consumption, this treatment may fatally exacerbate respiratory depression produced by opioid adulterants or intentionally co-administered opioids. We previously showed that the α2-agonist dexmedetomidine (DEX), which does not potentiate opioid-induced respiratory depression in clinical practice, can be safely and effectively co-administered with naloxone to attenuate METH-induced agitation following naloxone reversal in METH-fentanyl co-intoxicated rats. While the unique arousability of DEX-induced sedation is clinically useful, the current study tested the safety and efficacy of DEX and adjunctive ketamine (KET) in producing deeper, less arousable sedation when needed (i.e., for severe agitation or to facilitate an intricate procedure). Fifteen minutes after 1 mg/kg METH administration in male rats (simulating treatment of naloxone-unmasked agitation with a delay), low-dose (0.032 mg/kg) DEX ± (56 mg/kg) KET, high-dose (0.18 mg/kg) DEX, or saline was administered. Key measurements included METH-induced locomotor activity (a rat model of agitation), the rat coma scale (a quantification of arousability), and α<sub>2</sub>-agonist class side effects. Both high-dose DEX and DEX-KET almost completely attenuated METH-induced locomotor activity for 90 min after administration, but with the combination the sedation was deeper during the most intense METH-induced stimulation, and the α<sub>2</sub>-agonist side effects were less intense and of shorter duration. These data provide proof-of-concept support for the potential use of DEX-KET in producing deeper sedation in METH-induced agitation.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16294"},"PeriodicalIF":5.5,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13124640/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147823090","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
Evaluation of hematocrit-adjusted conversion strategies for mycophenolic acid and tacrolimus monitoring using volumetric absorptive microsampling in lung and renal transplant recipients. 肺和肾移植受者使用体积吸收微采样对霉酚酸和他克莫司监测的红细胞压积调整转换策略的评价。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-03-26 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16123
Liang Juan, Chih-Ning Cheng, Wen-Chi Chang, Huai-Hsuan Chiu, Chao-Wen Lu, Hsao-Hsun Hsu, Ching-Hua Kuo, Yu-Ju Tseng
{"title":"Evaluation of hematocrit-adjusted conversion strategies for mycophenolic acid and tacrolimus monitoring using volumetric absorptive microsampling in lung and renal transplant recipients.","authors":"Liang Juan, Chih-Ning Cheng, Wen-Chi Chang, Huai-Hsuan Chiu, Chao-Wen Lu, Hsao-Hsun Hsu, Ching-Hua Kuo, Yu-Ju Tseng","doi":"10.3389/jpps.2026.16123","DOIUrl":"10.3389/jpps.2026.16123","url":null,"abstract":"<p><strong>Objectives: </strong>Mycophenolic acid (MPA) and tacrolimus (TAC) exhibit substantial pharmacokinetic variability, and volumetric absorptive microsampling (VAMS) offers a minimally invasive alternative for therapeutic drug monitoring (TDM). This study aimed to develop a VAMS-based method for MPA and TAC quantifications and systematically evaluate hematocrit (Hct)-adjusted conversion strategies.</p><p><strong>Methods: </strong>Adult transplant recipients receiving mycophenolate mofetil or mycophenolate sodium were prospectively enrolled. Paired plasma (MPA), whole-blood (TAC), and VAMS samples were analyzed using validated LC-MS/MS method for simultaneous MPA and TAC quantification. Multiple Hct-adjusted conversion approaches for MPA were compared using Passing-Bablok regression, Bland-Altman analysis, and predictive performance metrics. Clinical applicability was assessed through scenario-based AUC estimation MPA AUC estimations under different sampling schemes.</p><p><strong>Results: </strong>LC-MS/MS method for quantifying MPA and TAC in VAMS exhibited good linearity (R<sup>2</sup> > 0.99) and accuracy within 85-115% across validation ranges (10-20,000 ng/mL for MPA; 0.5-500 ng/mL for TAC). Formula A-ind [(VAMS/1 - individual Hct) x f<sub>bpp</sub>], where f<sub>bpp</sub> represents the MPA protein binding fraction (0.97), achieved clinical agreement in 86% of samples for the conversion of MPA concentrations between VAMS and plasma, representing the most balanced between predictive reliability and operational feasibility. TAC concentrations from VAMS correlated strongly with whole blood values without requiring Hct correction. Clinical case applications showed that rich eight-point VAMS sampling enabled more accurate AUC estimations than conventional three-point schemes, further highlighting the advantages of using VAMS for MPA TDM.</p><p><strong>Conclusion: </strong>This validated VAMS-based approach offers a minimally invasive and clinically applicable alternative to venous sampling for MPA and TAC monitoring. Incorporating individualized Hct adjustments improves predictive performance, supporting conditional integration of VAMS into routine TDM.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16123"},"PeriodicalIF":5.5,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13061867/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147678034","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
Integrative deep learning strategies to enhance early-stage drug discovery: optimizing computational structure-activity modeling for pharmacotherapeutic innovation. 加强早期药物发现的综合深度学习策略:优化药物治疗创新的计算结构-活性模型。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-03-11 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.16155
Sarah Rezazi, Cherif Si-Moussa, Salah Hanini
{"title":"Integrative deep learning strategies to enhance early-stage drug discovery: optimizing computational structure-activity modeling for pharmacotherapeutic innovation.","authors":"Sarah Rezazi, Cherif Si-Moussa, Salah Hanini","doi":"10.3389/jpps.2026.16155","DOIUrl":"10.3389/jpps.2026.16155","url":null,"abstract":"<p><p>The integration of computational intelligence into therapeutic development is increasingly important for accelerating early-stage drug discovery and improving compound prioritization. In this study, we developed an optimized neural network-based predictive framework to support the identification of bioactive compounds with analgesic potential. A dataset of 532 structurally diverse molecules described by 227 molecular descriptors was analyzed, and a stepwise feature elimination procedure reduced the descriptor set to 105 informative variables, improving model robustness and reducing redundancy. The optimized artificial neural network, trained using the Levenberg-Marquardt algorithm, achieved a correlation coefficient of 95.9% with a prediction error of 0.433%, outperforming conventional statistical approaches reported for comparable QSAR tasks. Additional analysis links key descriptor groups, including connectivity and polarity parameters, to physicochemical properties relevant to analgesic activity, improving interpretability for medicinal chemistry applications. The framework is intended to support computational screening and candidate prioritization prior to experimental validation, thereby contributing to more efficient pharmacotherapeutic discovery workflows. This work highlights how data-driven modeling can complement translational strategies aimed at accelerating drug discovery pipelines.</p>","PeriodicalId":50090,"journal":{"name":"Journal of Pharmacy and Pharmaceutical Sciences","volume":"29 ","pages":"16155"},"PeriodicalIF":5.5,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13014046/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147522342","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
Career commitment and professional satisfaction among Romanian pharmacy graduates: a nationwide cross-sectional survey. 罗马尼亚药学毕业生的职业承诺和专业满意度:一项全国性的横断面调查。
IF 5.5 4区 医学
Journal of Pharmacy and Pharmaceutical Sciences Pub Date : 2026-03-05 eCollection Date: 2026-01-01 DOI: 10.3389/jpps.2026.15679
Marius Călin Cherecheş, Aura Rusu
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