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Journal articles on the topic 'Physiologically-based pharmacokinetic modeling (PBPK)'

Author: Grafiati

Published: 8 September 2021

Last updated: 29 July 2025

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1

Idkaidek, Nasir Mohammad Yasir. "Development of Successful Physiologically-Based Pharmacokinetic (PBPK) Models." Jordan Journal of Pharmaceutical Sciences 16, no. 2 (2023): 452. http://dx.doi.org/10.35516/jjps.v16i2.1491.

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Physiologically-based pharmacokinetic (PBPK) modeling is a strong mathematical tool that integrates body physiology, drug physicochemical properties and pharmacokinetics to predict detailed drug profiles in different parts of the body. PBPK modeling can also be used to predict the effects of drug-drug interactions and diseases on drug pharmacokinetics. The use of special modules enables the extrapolation to different routes and also different species. PBPK steps for successful modeling will be discussed with examples using GastroPlus program. Such in-silico work can minimize the number and ris

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Jia, Qiuyu, Qingfeng He, Li Yao, et al. "Utilization of Physiologically Based Pharmacokinetic Modeling in Pharmacokinetic Study of Natural Medicine: An Overview." Molecules 27, no. 24 (2022): 8670. http://dx.doi.org/10.3390/molecules27248670.

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Natural medicine has been widely used for clinical treatment and health care in many countries and regions. Additionally, extracting active ingredients from traditional Chinese medicine and other natural plants, defining their chemical structure and pharmacological effects, and screening potential druggable candidates are also uprising directions in new drug research and development. Physiologically based pharmacokinetic (PBPK) modeling is a mathematical modeling technique that simulates the absorption, distribution, metabolism, and elimination of drugs in various tissues and organs in vivo ba

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Kumar, Prashant, Darshan Mehta, and John J. Bissler. "Physiologically Based Pharmacokinetic Modeling of Extracellular Vesicles." Biology 12, no. 9 (2023): 1178. http://dx.doi.org/10.3390/biology12091178.

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Extracellular vesicles (EVs) are lipid membrane bound-cell-derived structures that are a key player in intercellular communication and facilitate numerous cellular functions such as tumor growth, metastasis, immunosuppression, and angiogenesis. They can be used as a drug delivery platform because they can protect drugs from degradation and target specific cells or tissues. With the advancement in the technologies and methods in EV research, EV-therapeutics are one of the fast-growing domains in the human health sector. Therapeutic translation of EVs in clinics requires assessing the quality, s

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Kovar, Lukas, Christina Schräpel, Dominik Selzer, et al. "Physiologically-Based Pharmacokinetic (PBPK) Modeling of Buprenorphine in Adults, Children and Preterm Neonates." Pharmaceutics 12, no. 6 (2020): 578. http://dx.doi.org/10.3390/pharmaceutics12060578.

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Buprenorphine plays a crucial role in the therapeutic management of pain in adults, adolescents and pediatric subpopulations. However, only few pharmacokinetic studies of buprenorphine in children, particularly neonates, are available as conducting clinical trials in this population is especially challenging. Physiologically-based pharmacokinetic (PBPK) modeling allows the prediction of drug exposure in pediatrics based on age-related physiological differences. The aim of this study was to predict the pharmacokinetics of buprenorphine in pediatrics with PBPK modeling. Moreover, the drug-drug i

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Kovar, Lukas, Andreas Weber, Michael Zemlin, et al. "Physiologically-Based Pharmacokinetic (PBPK) Modeling Providing Insights into Fentanyl Pharmacokinetics in Adults and Pediatric Patients." Pharmaceutics 12, no. 10 (2020): 908. http://dx.doi.org/10.3390/pharmaceutics12100908.

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Fentanyl is widely used for analgesia, sedation, and anesthesia both in adult and pediatric populations. Yet, only few pharmacokinetic studies of fentanyl in pediatrics exist as conducting clinical trials in this population is especially challenging. Physiologically-based pharmacokinetic (PBPK) modeling is a mechanistic approach to explore drug pharmacokinetics and allows extrapolation from adult to pediatric populations based on age-related physiological differences. The aim of this study was to develop a PBPK model of fentanyl and norfentanyl for both adult and pediatric populations. The adu

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Dinh, Jean, Trevor N. Johnson, Manuela Grimstein, and Tamorah Lewis. "Physiologically Based Pharmacokinetics Modeling in the Neonatal Population—Current Advances, Challenges, and Opportunities." Pharmaceutics 15, no. 11 (2023): 2579. http://dx.doi.org/10.3390/pharmaceutics15112579.

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Physiologically based pharmacokinetic (PBPK) modeling is an approach to predicting drug pharmacokinetics, using knowledge of the human physiology involved and drug physiochemical properties. This approach is useful when predicting drug pharmacokinetics in under-studied populations, such as pediatrics. PBPK modeling is a particularly important tool for dose optimization for the neonatal population, given that clinical trials rarely include this patient population. However, important knowledge gaps exist for neonates, resulting in uncertainty with the model predictions. This review aims to outli

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Zhang, Wei, Qian Zhang, Zhihai Cao, Liang Zheng, and Wei Hu. "Physiologically Based Pharmacokinetic Modeling in Neonates: Current Status and Future Perspectives." Pharmaceutics 15, no. 12 (2023): 2765. http://dx.doi.org/10.3390/pharmaceutics15122765.

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Rational drug use in special populations is a clinical problem that doctors and pharma-cists must consider seriously. Neonates are the most physiologically immature and vulnerable to drug dosing. There is a pronounced difference in the anatomical and physiological profiles be-tween neonates and older people, affecting the absorption, distribution, metabolism, and excretion of drugs in vivo, ultimately leading to changes in drug concentration. Thus, dose adjustments in neonates are necessary to achieve adequate therapeutic concentrations and avoid drug toxicity. Over the past few decades, model

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Cvijić, Sandra, Jelisaveta Ignjatović, Jelena Parojčić, and Svetlana Ibrić. "The emerging role of physiologically-based pharmacokinetic/biopharmaceutics modeling in formulation development." Arhiv za farmaciju 71, no. 4 (2021): 318–35. http://dx.doi.org/10.5937/arhfarm71-32479.

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Computer-based (in silico) modeling & simulation tools have been embraced in different fields of pharmaceutics for a variety of applications. Among these, physiologically-based pharmacokinetic/biopharmaceutics modeling (PBPK/PBBM) emerged as a particularly useful tool in formulation development. PBPK/PBBM facilitated strategies have been increasingly evaluated over the past few years, as demonstrated by several reports from the pharmaceutical industry, and a number of research and review papers on this subject. Also, the leading regulatory authorities have recently issued guidance on the u

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Barrett, J. S., O. Della Casa Alberighi, S. Läer, and B. Meibohm. "Physiologically Based Pharmacokinetic (PBPK) Modeling in Children." Clinical Pharmacology & Therapeutics 92, no. 1 (2012): 40–49. http://dx.doi.org/10.1038/clpt.2012.64.

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Khalil, Feras, and Stephanie Läer. "Physiologically Based Pharmacokinetic Modeling: Methodology, Applications, and Limitations with a Focus on Its Role in Pediatric Drug Development." Journal of Biomedicine and Biotechnology 2011 (2011): 1–13. http://dx.doi.org/10.1155/2011/907461.

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The concept of physiologically based pharmacokinetic (PBPK) modeling was introduced years ago, but it has not been practiced significantly. However, interest in and implementation of this modeling technique have grown, as evidenced by the increased number of publications in this field. This paper demonstrates briefly the methodology, applications, and limitations of PBPK modeling with special attention given to discuss the use of PBPK models in pediatric drug development and some examples described in detail. Although PBPK models do have some limitations, the potential benefit from PBPK modeli

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Tanaka, Ryota, Kei Irie, and Tomoyuki Mizuno. "Physiologically Based Pharmacokinetic Modeling of Antibiotics in Children: Perspectives on Model-Informed Precision Dosing." Antibiotics 14, no. 6 (2025): 541. https://doi.org/10.3390/antibiotics14060541.

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The appropriate use of antibiotics is crucial and involves selecting an optimal dosing regimen based on pharmacokinetic (PK) and pharmacodynamic (PD) indicators. Physiologically based pharmacokinetic (PBPK) modeling is a powerful tool that integrates drugs’ physicochemical properties with anatomical and physiological data to predict PK behavior. In pediatric populations, PBPK modeling accounts for developmental changes in organ function, making it particularly useful for optimizing antibiotic dosing across different age groups, from neonates to adolescents. In recent decades, PBPK modeling has

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Chen, K. F., P. Milgrom, and Y. S. Lin. "Silver Diamine Fluoride in Children Using Physiologically Based PK Modeling." Journal of Dental Research 99, no. 8 (2020): 907–13. http://dx.doi.org/10.1177/0022034520917368.

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Silver diamine fluoride (SDF) is used topically to prevent or arrest dental caries and has been tested clinically in toddlers to elderly adults. Following SDF application, small quantities of silver can be swallowed and absorbed. To monitor silver concentrations, pharmacokinetic studies can be performed. However, pharmacokinetic studies are time-consuming, resource intensive, and challenging to perform in young children. The objective of this study was to develop a physiologically based pharmacokinetic (PBPK) model to predict silver disposition in children. The PBPK model for silver was develo

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van Hoogdalem, Matthijs W., Ryota Tanaka, Khaled Abduljalil, et al. "Forecasting Fetal Buprenorphine Exposure through Maternal–Fetal Physiologically Based Pharmacokinetic Modeling." Pharmaceutics 16, no. 3 (2024): 375. http://dx.doi.org/10.3390/pharmaceutics16030375.

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Buprenorphine readily crosses the placenta, and with greater prenatal exposure, neonatal opioid withdrawal syndrome (NOWS) likely grows more severe. Current dosing strategies can be further improved by tailoring doses to expected NOWS severity. To allow the conceptualization of fetal buprenorphine exposure, a maternal–fetal physiologically based pharmacokinetic (PBPK) model for sublingual buprenorphine was developed using Simcyp (v21.0). Buprenorphine transplacental passage was predicted from its physicochemical properties. The maternal–fetal PBPK model integrated reduced transmucosal absorpti

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Aborig, Mohamed, Paul R. V. Malik, Shruti Nambiar, et al. "Biodistribution and Physiologically-Based Pharmacokinetic Modeling of Gold Nanoparticles in Mice with Interspecies Extrapolation." Pharmaceutics 11, no. 4 (2019): 179. http://dx.doi.org/10.3390/pharmaceutics11040179.

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Gold nanoparticles (AuNPs) are a focus of growing medical research applications due to their unique chemical, electrical and optical properties. Because of uncertain toxicity, “green” synthesis methods are emerging, using plant extracts to improve biological and environmental compatibility. Here we explore the biodistribution of green AuNPs in mice and prepare a physiologically-based pharmacokinetic (PBPK) model to guide interspecies extrapolation. Monodisperse AuNPs were synthesized and capped with epigallocatechin gallate (EGCG) and curcumin. 64 CD-1 mice received the AuNPs by intraperitonea

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Kim, Min-Chang, and Young-Joo Lee. "Analysis of Time-Dependent Pharmacokinetics Using In Vitro–In Vivo Extrapolation and Physiologically Based Pharmacokinetic Modeling." Pharmaceutics 14, no. 12 (2022): 2562. http://dx.doi.org/10.3390/pharmaceutics14122562.

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SCR430, a sorafenib derivative, is an investigational drug exhibiting anti-tumor action. This study aimed to have a mechanistic understanding of SCR430’s time-dependent pharmacokinetics (TDPK) through an ex vivo study combined with an in vitro–in vivo extrapolation (IVIVE) and physiologically based pharmacokinetic (PBPK) modeling. A non-compartmental pharmacokinetic analysis was performed after intravenous SCR430 administration in female Sprague-Dawley rats for a control group (no treatment), a vehicle group (vehicle only, 14 days, PO), and a repeated-dosing group (SCR430, 30 mg/kg/day, 14 day

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Pasha, Mahnoor, Ammara Zamir, Muhammad Fawad Rasool, et al. "A Comprehensive Physiologically Based Pharmacokinetic Model for Predicting Vildagliptin Pharmacokinetics: Insights into Dosing in Renal Impairment." Pharmaceuticals 17, no. 7 (2024): 924. http://dx.doi.org/10.3390/ph17070924.

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Physiologically based pharmacokinetic (PBPK) modeling is of great importance in the field of medicine. This study aims to construct a PBPK model, which can provide reliable drug pharmacokinetic (PK) predictions in both healthy and chronic kidney disease (CKD) subjects. To do so, firstly a review of the literature was thoroughly conducted and the PK information of vildagliptin was collected. PBPK modeling software, PK-Sim®, was then used to build and assess the IV, oral, and drug-specific models. Next, the average fold error, visual predictive checks, and predicted/observed ratios were used for

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Li, Min, Peng Zou, Katherine Tyner, and Sau Lee. "Physiologically Based Pharmacokinetic (PBPK) Modeling of Pharmaceutical Nanoparticles." AAPS Journal 19, no. 1 (2016): 26–42. http://dx.doi.org/10.1208/s12248-016-0010-3.

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Mallick, Pankajini, Gina Song, Alina Y. Efremenko, et al. "Physiologically Based Pharmacokinetic Modeling in Risk Assessment: Case Study With Pyrethroids." Toxicological Sciences 176, no. 2 (2020): 460–69. http://dx.doi.org/10.1093/toxsci/kfaa070.

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Abstract The assessment of potentially sensitive populations is an important application of risk assessment. To address the concern for age-related sensitivity to pyrethroid insecticides, life-stage physiologically based pharmacokinetic (PBPK) modeling supported by in vitro to in vivo extrapolation was conducted to predict age-dependent changes in target tissue exposure to 8 pyrethroids. The purpose of this age-dependent dosimetry was to calculate a Data-derived Extrapolation Factor (DDEF) to address age-related pharmacokinetic differences for pyrethroids in humans. We developed a generic huma

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Yellepeddi, Venkata, Sharlo Bayless, Madison Parrot, and Catherine M. Sherwin. "Optimal Dosing Recommendations of Clonidine in Pediatrics Using Physiologically Based Pharmacokinetic Modeling." Journal of Pediatric Pharmacology and Therapeutics 29, no. 6 (2024): 636–44. https://doi.org/10.5863/1551-6776-29.6.636.

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OBJECTIVE Clonidine has been widely used in the pediatric population to treat neonatal abstinence syndrome (NAS), attention deficit hyperactivity disorder (ADHD), sedation, and Tourette’s syndrome; however, there is no consensus on dosing. This research aims to recommend optimal dosing of clonidine in the pediatric population using physiologically based pharmacokinetic (PBPK) modeling. METHODS The pediatric PBPK model was developed from an adult model by scaling the clearance processes from adults to pediatrics using ontogeny equations. The adult and pediatric models were verified using clinic

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Abdulsamed, Mohamed, Ashraf A Naass, Mohamed S. A. Eswani, Mohamed O Elbasir, and Sedigh Bashir. "Advancing Precision Drug Therapy in Pregnant Women: PBPK Modeling of Antiviral Drugs." Translational Medicine: Open Access 2, no. 2 (2024): 01–17. https://doi.org/10.33140/tmoa.02.02.01.

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PBPK/PD modeling is essential in modern drug development. Traditional drug development methods frequently rely on trial and error, which can be time-consuming, costly, and could be risky. Predicting pharmacokinetics (PK) of drugs in pregnant women, encompassing the intricate aspect of placental drug transfer, remains a complex task. This study was to compare of simulated or predicted and observed (previously published approaches) pharmacokinetic parameters among the four antiviral drugs in pregnant and non-pregnant women. In addition, this investigation endeavors to construct and assess physio

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Boone, Sydney, Wenjie Sun, Pavani Gonnabathula, et al. "Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents." Journal of Xenobiotics 15, no. 2 (2025): 42. https://doi.org/10.3390/jox15020042.

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Chemical release incidents in the United States involve hazardous chemicals that can harm nearby communities. A historical tracking of these chemical release incidents from 1991 to 2014 across up to 16 states has been conducted by The Agency for Toxic Substances and Disease Registry (ATSDR), utilizing the Hazardous Substances Emergency Events Surveillance (HSEES) and the National Toxic Substance Incidents Program (NTSIP) systems. By analyzing surveillance data, patterns of these different chemical releases can be identified to develop and construct a health-protective course of action. Physiol

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Khazaee, Manoochehr, and Carla A. Ng. "Evaluating parameter availability for physiologically based pharmacokinetic (PBPK) modeling of perfluorooctanoic acid (PFOA) in zebrafish." Environmental Science: Processes & Impacts 20, no. 1 (2018): 105–19. http://dx.doi.org/10.1039/c7em00474e.

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Shaik, Abdul Naveed, and Ansar Ali Khan. "Physiologically based pharmacokinetic (PBPK) modeling and simulation in drug discovery and development." ADMET and DMPK 7, no. 1 (2019): 1–3. http://dx.doi.org/10.5599/admet.667.

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Physiologically based pharmacokinetic (PBPK) modeling is a mechanistic or physiology based mathematical modeling technique which integrates the knowledge from both drug-based properties including physiochemical and biopharmaceutical properties and system based or physiological properties to generate a model for predicting the absorption, distribution, metabolism and excretion (ADME) properties of a drug as well as pharmacokinetic behavior of a drug in preclinical species and humans.

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Hanke, Nina, José David Gómez-Mantilla, Naoki Ishiguro, Peter Stopfer, and Valerie Nock. "Physiologically Based Pharmacokinetic Modeling of Rosuvastatin to Predict Transporter-Mediated Drug-Drug Interactions." Pharmaceutical Research 38, no. 10 (2021): 1645–61. http://dx.doi.org/10.1007/s11095-021-03109-6.

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Abstract Purpose To build a physiologically based pharmacokinetic (PBPK) model of the clinical OATP1B1/OATP1B3/BCRP victim drug rosuvastatin for the investigation and prediction of its transporter-mediated drug-drug interactions (DDIs). Methods The Rosuvastatin model was developed using the open-source PBPK software PK-Sim®, following a middle-out approach. 42 clinical studies (dosing range 0.002–80.0 mg), providing rosuvastatin plasma, urine and feces data, positron emission tomography (PET) measurements of tissue concentrations and 7 different rosuvastatin DDI studies with rifampicin, gemfib

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Yoon, Deok Yong, SeungHwan Lee, In-Jin Jang, et al. "Prediction of Drug–Drug Interaction Potential of Tegoprazan Using Physiologically Based Pharmacokinetic Modeling and Simulation." Pharmaceutics 13, no. 9 (2021): 1489. http://dx.doi.org/10.3390/pharmaceutics13091489.

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This study aimed to develop a physiologically based pharmacokinetic (PBPK) model of tegoprazan and to predict the drug–drug interaction (DDI) potential between tegoprazan and cytochrome P450 (CYP) 3A4 perpetrators. The PBPK model of tegoprazan was developed using SimCYP Simulator® and verified by comparing the model-predicted pharmacokinetics (PKs) of tegoprazan with the observed data from phase 1 clinical studies, including DDI studies. DDIs between tegoprazan and three CYP3A4 perpetrators were predicted by simulating the difference in tegoprazan exposure with and without perpetrators, after

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Sultatos, Lester G. "A Physiologically Based Pharmacokinetic Model of Parathion Based on Chemical-Specific Parameters Determined In Vitro." Journal of the American College of Toxicology 9, no. 6 (1990): 611–19. http://dx.doi.org/10.3109/10915819009078766.

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Physiologically based pharmacokinetic (PBPK) modeling is an approach that has been used to predict successfully the pharmacokinetic disposition of numerous foreign chemicals. The accuracy of a PBPK model is dependent on the reliability of estimates of tissue/blood distribution coefficients (Kp) and appropriate kinetic constants descriptive of the elimination of the chemical under consideration. The present study evaluates the validity of the use of Kp values and kinetic constants determined in vitro for use in a PBPK model for the organothiophosphorus insecticide parathion. Kps were determined

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Cao, Zhihai, Zilong Wang, Qian Zhang, Wei Zhang, Liang Zheng, and Wei Hu. "Physiologically Based Pharmacokinetic Modeling of Tofacitinib: Predicting Drug Exposure and Optimizing Dosage in Special Populations and Drug–Drug Interaction Scenarios." Pharmaceuticals 18, no. 3 (2025): 425. https://doi.org/10.3390/ph18030425.

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Background: Tofacitinib is mainly used in the adult population for immune-mediated inflammatory diseases. There is little information available on the pharmacokinetics of tofacitinib in pediatric patients, populations with hepatic impairment and renal impairment, and patients with drug–drug interactions (DDIs). This study aimed to develop a physiologically based pharmacokinetic (PBPK) model to predict the pharmacokinetics of tofacitinib in the populations mentioned above. Methods: We developed the PBPK models in PK-Sim® and evaluated the models with observed clinical PK data. The Monte Carlo a

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Cheng, Lisa, and Harvey Wong. "Food Effects on Oral Drug Absorption: Application of Physiologically-Based Pharmacokinetic Modeling as a Predictive Tool." Pharmaceutics 12, no. 7 (2020): 672. http://dx.doi.org/10.3390/pharmaceutics12070672.

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The bioavailability of an orally administered small molecule is often dictated by drug-specific physicochemical characteristics and is influenced by many biological processes. For example, in fed or fasted conditions, the transit time within the gastrointestinal tract can vary, confounding the ability to predict the oral absorption. As such, the effects of food on the pharmacokinetics of compounds in the various biopharmaceutics classification system (BCS) classes need to be assessed. The consumption of food leads to physiological changes, including fluctuations in the gastric and intestinal p

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De Sutter, Pieter-Jan, Phebe Rossignol, Lien Breëns, Elke Gasthuys, and An Vermeulen. "Predicting Volume of Distribution in Neonates: Performance of Physiologically Based Pharmacokinetic Modelling." Pharmaceutics 15, no. 9 (2023): 2348. http://dx.doi.org/10.3390/pharmaceutics15092348.

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The volume of distribution at steady state (Vss) in neonates is still often estimated through isometric scaling from adult values, disregarding developmental changes beyond body weight. This study aimed to compare the accuracy of two physiologically based pharmacokinetic (PBPK) Vss prediction methods in neonates (Poulin & Theil with Berezhkovskiy correction (P&T+) and Rodgers & Rowland (R&R)) with isometrical scaling. PBPK models were developed for 24 drugs using in-vitro and in-silico data. Simulations were done in Simcyp (V22) using predefined populations. Clinical data from

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He, Qingfeng, Fengjiao Bu, Hongyan Zhang, et al. "Investigation of the Impact of CYP3A5 Polymorphism on Drug–Drug Interaction between Tacrolimus and Schisantherin A/Schisandrin A Based on Physiologically-Based Pharmacokinetic Modeling." Pharmaceuticals 14, no. 3 (2021): 198. http://dx.doi.org/10.3390/ph14030198.

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Wuzhi capsule (WZC) is commonly prescribed with tacrolimus in China to ease drug-induced hepatotoxicity. Two abundant active ingredients, schisantherin A (STA) and schisandrin A (SIA) are known to inhibit CYP3A enzymes and increase tacrolimus’s exposure. Our previous study has quantitatively demonstrated the contribution of STA and SIA to tacrolimus pharmacokinetics based on physiologically-based pharmacokinetic (PBPK) modeling. In the current work, we performed reversible inhibition (RI) and time-dependent inhibition (TDI) assays with CYP3A5 genotyped human liver microsomes (HLMs), and furthe

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Kim, Min-Soo, Yoo-Kyung Song, Ji-Soo Choi, et al. "Physiologically Based Pharmacokinetic Modelling to Predict Pharmacokinetics of Enavogliflozin, a Sodium-Dependent Glucose Transporter 2 Inhibitor, in Humans." Pharmaceutics 15, no. 3 (2023): 942. http://dx.doi.org/10.3390/pharmaceutics15030942.

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Enavogliflozin is a sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor approved for clinical use in South Korea. As SGLT2 inhibitors are a treatment option for patients with diabetes, enavogliflozin is expected to be prescribed in various populations. Physiologically based pharmacokinetic (PBPK) modelling can rationally predict the concentration–time profiles under altered physiological conditions. In previous studies, one of the metabolites (M1) appeared to have a metabolic ratio between 0.20 and 0.25. In this study, PBPK models for enavogliflozin and M1 were developed using published

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Salim, Emilie Langeskov, Kim Kristensen, and Erik Sjögren. "Whole-Body Physiologically Based Pharmacokinetic Modeling of GalNAc-Conjugated siRNAs." Pharmaceutics 17, no. 1 (2025): 69. https://doi.org/10.3390/pharmaceutics17010069.

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Background/Objectives: N-acetyl-galactosamine small interfering RNAs (GalNAc-siRNA) are an emerging class of drugs due to their durable knockdown of disease-related proteins. Direct conjugation of GalNAc onto the siRNA enables targeted uptake into hepatocytes via GalNAc recognition of the Asialoglycoprotein Receptor (ASGPR). With a transient plasma exposure combined with a prolonged liver half-life, GalNAc-siRNA exhibits distinct disposition characteristics. We aimed to develop a generic GalNAc-siRNAs whole-body physiologically based pharmacokinetic–pharmacodynamic (WB-PBPK-PD) model for descr

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Costa, Bárbara, Maria João Gouveia, and Nuno Vale. "PBPK Modeling of Lamotrigine and Efavirenz during Pregnancy: Implications for Personalized Dosing and Drug-Drug Interaction Management." Pharmaceutics 16, no. 9 (2024): 1163. http://dx.doi.org/10.3390/pharmaceutics16091163.

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This study aimed to model the pharmacokinetics of lamotrigine (LTG) and efavirenz (EFV) in pregnant women using physiologically based pharmacokinetic (PBPK) and pregnancy-specific PBPK (p-PBPK) models. For lamotrigine, the adult PBPK model demonstrated accurate predictions for pharmacokinetic parameters. Predictions for the area under the curve (AUC) and peak plasma concentration (Cmax) generally agreed well with observed values. During pregnancy, the PBPK model accurately predicted AUC and Cmax with a prediction error (%PE) of less than 25%. The evaluation of the EFV PBPK model revealed mixed

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Taddio, Marco F., Linjing Mu, Claudia Keller, Roger Schibli, and Stefanie D. Krämer. "Physiologically Based Pharmacokinetic Modelling with Dynamic PET Data to Study the In Vivo Effects of Transporter Inhibition on Hepatobiliary Clearance in Mice." Contrast Media & Molecular Imaging 2018 (June 3, 2018): 1–11. http://dx.doi.org/10.1155/2018/5849047.

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Physiologically based pharmacokinetic modelling (PBPK) is a powerful tool to predict in vivo pharmacokinetics based on physiological parameters and data from in vivo studies and in vitro assays. In vivo PBPK modelling in laboratory animals by noninvasive imaging could help to improve the in vivo-in vivo translation towards human pharmacokinetics modelling. We evaluated the feasibility of PBPK modelling with PET data from mice. We used data from two of our PET tracers under development, [11C]AM7 and [11C]MT107. PET images suggested hepatobiliary excretion which was reduced after cyclosporine ad

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Savoca, Adriana, and Davide Manca. "Physiologically-based pharmacokinetic simulations in pharmacotherapy: selection of the optimal administration route for exogenous melatonin." ADMET and DMPK 7, no. 1 (2019): 44–59. http://dx.doi.org/10.5599/admet.625.

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The benefits of melatonin on human body are drawing increasing attention from several researchers in different fields. While its role as cure for sleep disturbances (e.g., jet lag, insomnia) is well documented and established, new functions in physiological and pathophysiological processes are emerging. To investigate these effects, there is need for the characterization of melatonin transport processes in the body and resulting pharmacokinetics. Although recent works propose physiologically-based pharmacokinetic modelling of melatonin, no work has yet highlighted the potential of PBPK simulat

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Jeong, Yoo-Seong, Min-Soo Kim, Nora Lee, et al. "Development of Physiologically Based Pharmacokinetic Model for Orally Administered Fexuprazan in Humans." Pharmaceutics 13, no. 6 (2021): 813. http://dx.doi.org/10.3390/pharmaceutics13060813.

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Fexuprazan is a new drug candidate in the potassium-competitive acid blocker (P-CAB) family. As proton pump inhibitors (PPIs), P-CABs inhibit gastric acid secretion and can be used to treat gastric acid-related disorders such as gastroesophageal reflux disease (GERD). Physiologically based pharmacokinetic (PBPK) models predict drug interactions as pharmacokinetic profiles in biological matrices can be mechanistically simulated. Here, we propose an optimized and validated PBPK model for fexuprazan by integrating in vitro, in vivo, and in silico data. The extent of fexuprazan tissue distribution

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Shin, Na-Young. "Application of Physiologically Based Pharmacokinetic (PBPK) Modeling in Prediction of Pediatric Pharmacokinetics." Yakhak Hoeji 59, no. 1 (2015): 29–39. http://dx.doi.org/10.17480/psk.2015.59.1.29.

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Sugimoto, Hiroshi, Susan Chen, and Mark G. Qian. "Pharmacokinetic Characterization and Tissue Distribution of Fusion Protein Therapeutics by Orthogonal Bioanalytical Assays and Minimal PBPK Modeling." Molecules 25, no. 3 (2020): 535. http://dx.doi.org/10.3390/molecules25030535.

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Characterization of pharmacokinetic (PK) properties and target tissue distribution of therapeutic fusion proteins (TFPs) are critical in supporting in vivo efficacy. We evaluated the pharmacokinetic profile of an investigational TFP consisting of human immunoglobulin G4 fused to the modified interferon alpha by orthogonal bioanalytical assays and applied minimal physiologically based pharmacokinetic (PBPK) modeling to characterize the TFP pharmacokinetics in mouse. The conventional ligand binding assay (LBA), immunocapture-liquid chromatography/tandem mass spectrometry (IC-LC/MS) detecting the

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Ni, Liang, Zhihai Cao, Jiakang Jiang, et al. "Evaluating Drug Interactions between Ritonavir and Opioid Analgesics: Implications from Physiologically Based Pharmacokinetic Simulation." Pharmaceuticals 17, no. 5 (2024): 640. http://dx.doi.org/10.3390/ph17050640.

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Several commonly used opioid analgesics, such as fentanyl, sufentanil, alfentanil, and hydrocodone, are by report primarily metabolized by the CYP3A4 enzyme. The concurrent use of ritonavir, a potent CYP3A4 inhibitor, can lead to significant drug interactions. Using physiologically based pharmacokinetic (PBPK) modeling and simulation, this study examines the effects of different dosing regimens of ritonavir on the pharmacokinetics of these opioids. The findings reveal that co-administration of ritonavir significantly increases the exposure of fentanyl analogs, with over a 10-fold increase in t

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Ryu, Hyo-jeong, Hyun-ki Moon, Junho Lee, et al. "Evaluation for Potential Drug–Drug Interaction of MT921 Using In Vitro Studies and Physiologically–Based Pharmacokinetic Models." Pharmaceuticals 14, no. 7 (2021): 654. http://dx.doi.org/10.3390/ph14070654.

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MT921 is a new injectable drug developed by Medytox Inc. to reduce submental fat. Cholic acid is the active pharmaceutical ingredient, a primary bile acid biosynthesized from cholesterol, endogenously produced by liver in humans and other mammals. Although individuals treated with MT921 could be administered with multiple medications, such as those for hypertension, diabetes, and hyperlipidemia, the pharmacokinetic drug–drug interaction (DDI) has not been investigated yet. Therefore, we studied in vitro against drug-metabolizing enzymes and transporters. Moreover, we predicted the potential DD

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Freriksen, Jolien, Marika de Hoop-Sommen, Joyce van der Heijden, Rick Greupink, and Saskia de Wildt. "6 PBPK model-informed dosing guidelines in pediatric clinical care – initiation and drug prioritization." Archives of Disease in Childhood 108, no. 6 (2023): A2.2—A2. http://dx.doi.org/10.1136/archdischild-2023-esdppp.6.

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IntroductionWith approximately 50% of the drugs being prescribed off-label, the pediatric population is in need for an innovative approach to establish harmonized, best evidence-based dosing guidelines. Physiologically-based pharmacokinetic (PBPK) modelling is a valuable approach to predict drug pharmacokinetics (PK) and to support dosing. As a first step to implement PBPK-informed dosing in pediatric clinical care, we aimed to identify drugs suitable to verify the PBPK approach and prioritize drugs in need of model-informed dosing.MethodsTo select a drug, it required to be listed on: 1. the M

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Petric, Zvonimir, João Gonçalves, and Paulo Paixão. "Infliximab in Inflammatory Bowel Disease: Leveraging Physiologically Based Pharmacokinetic Modeling in the Clinical Context." Biomedicines 12, no. 9 (2024): 1974. http://dx.doi.org/10.3390/biomedicines12091974.

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In this study, a physiologically based pharmacokinetic (PBPK) modeling framework was employed to explore infliximab exposure following intravenous (5 mg/kg) and subcutaneous administration (encompassing the approved 120 mg flat-fixed dose as a switching option) in virtual adult and pediatric patients with inflammatory bowel disease (IBD). The PBPK model and corresponding simulations were conducted using the PK-Sim® software platform. The PBPK simulation indicated that a 120 mg subcutaneous flat-fixed dose might not be optimal for heavier adults with IBD, suggesting the need for infliximab dose

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Ferreira, Abigail, Rui Lapa, and Nuno Vale. "PBPK Modeling and Simulation and Therapeutic Drug Monitoring: Possible Ways for Antibiotic Dose Adjustment." Processes 9, no. 11 (2021): 2087. http://dx.doi.org/10.3390/pr9112087.

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Pharmacokinetics (PK) is a branch of pharmacology present and of vital importance for the research and development (R&D) of new drugs, post-market monitoring, and continued optimizations in clinical contexts. Ultimately, pharmacokinetics can contribute to improving patients’ clinical outcomes, helping enhance the efficacy of treatments, and reducing possible adverse side effects while also contributing to precision medicine. This article discusses the methods used to predict and study human pharmacokinetics and their evolution to the current physiologically based pharmacokinetic (PBPK) mod

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Utembe, Wells, Harvey Clewell, Natasha Sanabria, Philip Doganis, and Mary Gulumian. "Current Approaches and Techniques in Physiologically Based Pharmacokinetic (PBPK) Modelling of Nanomaterials." Nanomaterials 10, no. 7 (2020): 1267. http://dx.doi.org/10.3390/nano10071267.

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There have been efforts to develop physiologically based pharmacokinetic (PBPK) models for nanomaterials (NMs). Since NMs have quite different kinetic behaviors, the applicability of the approaches and techniques that are utilized in current PBPK models for NMs is warranted. Most PBPK models simulate a size-independent endocytosis from tissues or blood. In the lungs, dosimetry and the air-liquid interface (ALI) models have sometimes been used to estimate NM deposition and translocation into the circulatory system. In the gastrointestinal (GI) tract, kinetics data are needed for mechanistic und

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Krstevska, Aleksandra, Jelena Đuriš, Svetlana Ibrić, and Sandra Cvijić. "In-Depth Analysis of Physiologically Based Pharmacokinetic (PBPK) Modeling Utilization in Different Application Fields Using Text Mining Tools." Pharmaceutics 15, no. 1 (2022): 107. http://dx.doi.org/10.3390/pharmaceutics15010107.

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In the past decade, only a small number of papers have elaborated on the application of physiologically based pharmacokinetic (PBPK) modeling across different areas. In this review, an in-depth analysis of the distribution of PBPK modeling in relation to its application in various research topics and model validation was conducted by text mining tools. Orange 3.32.0, an open-source data mining program was used for text mining. PubMed was used for data retrieval, and the collected articles were analyzed by several widgets. A total of 2699 articles related to PBPK modeling met the predefined cri

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Cuello, W. S., T. A. T. Janes, J. M. Jessee, et al. "Physiologically Based Pharmacokinetic (PBPK) Modeling of Metabolic Pathways of Bromochloromethane in Rats." Journal of Toxicology 2012 (2012): 1–14. http://dx.doi.org/10.1155/2012/629781.

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Bromochloromethane (BCM) is a volatile compound and a by-product of disinfection of water by chlorination. Physiologically based pharmacokinetic (PBPK) models are used in risk assessment applications. An updated PBPK model for BCM is generated and applied to hypotheses testing calibrated using vapor uptake data. The two different metabolic hypotheses examined are (1) a two-pathway model using both CYP2E1 and glutathione transferase enzymes and (2) a two-binding site model where metabolism can occur on one enzyme, CYP2E1. Our computer simulations show that both hypotheses describe the experimen

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Deepika, Deepika, and Vikas Kumar. "The Role of “Physiologically Based Pharmacokinetic Model (PBPK)” New Approach Methodology (NAM) in Pharmaceuticals and Environmental Chemical Risk Assessment." International Journal of Environmental Research and Public Health 20, no. 4 (2023): 3473. http://dx.doi.org/10.3390/ijerph20043473.

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Physiologically Based Pharmacokinetic (PBPK) models are mechanistic tools generally employed in the pharmaceutical industry and environmental health risk assessment. These models are recognized by regulatory authorities for predicting organ concentration–time profiles, pharmacokinetics and daily intake dose of xenobiotics. The extension of PBPK models to capture sensitive populations such as pediatric, geriatric, pregnant females, fetus, etc., and diseased populations such as those with renal impairment, liver cirrhosis, etc., is a must. However, the current modelling practices and existing mo

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Cordes, Henrik, Christoph Thiel, Hélène E. Aschmann, Vanessa Baier, Lars M. Blank, and Lars Kuepfer. "A Physiologically Based Pharmacokinetic Model of Isoniazid and Its Application in Individualizing Tuberculosis Chemotherapy." Antimicrobial Agents and Chemotherapy 60, no. 10 (2016): 6134–45. http://dx.doi.org/10.1128/aac.00508-16.

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ABSTRACTDue to its high early bactericidal activity, isoniazid (INH) plays an essential role in tuberculosis treatment. Genetic polymorphisms ofN-acetyltransferase type 2 (NAT2) cause a trimodal distribution of INH pharmacokinetics in slow, intermediate, and fast acetylators. The success of INH-based chemotherapy is associated with acetylator and patient health status. Still, a standard dose recommended by the FDA is administered regardless of acetylator type or immune status, even though adverse effects occur in 5 to 33% of all patients. Slow acetylators have a higher risk of development of d

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Quijano-Mateos, Alejandra. "The Perks and Drawbacks of Physiologically-Based Pharmacokinetic Modeling." Medical Research Archives 10, no. 9 (2022). http://dx.doi.org/10.18103/mra.v10i9.2944.

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Physiologically-based pharmacokinetic (PBPK) models use a mechanistic approach to integrate physiological parameters, physicochemical drug properties, and biochemical processes by means of mathematical equations to predict the concentration of a drug over time in blood and tissues. These models represent a robust tool for the pharmaceutical sciences, but also applications in chemical risk assessment for drugs and chemicals of forensic interest or in occupational hazards have been explored over the last decade. Much like other computational tools, PBPK models’ application face challenges concer

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Minnema, Jordi, Sven Even F. Borgos, Neill Liptrott, Rob Vandebriel, and Christiaan Delmaar. "Physiologically based pharmacokinetic modeling of intravenously administered nanoformulated substances." Drug Delivery and Translational Research, May 12, 2022. http://dx.doi.org/10.1007/s13346-022-01159-w.

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AbstractThe use of nanobiomaterials (NBMs) is becoming increasingly popular in the field of medicine. To improve the understanding on the biodistribution of NBMs, the present study aimed to implement and parametrize a physiologically based pharmacokinetic (PBPK) model. This model was used to describe the biodistribution of two NBMs after intravenous administration in rats, namely, poly(alkyl cyanoacrylate) (PACA) loaded with cabazitaxel (PACA-Cbz), and LipImage™ 815. A Bayesian parameter estimation approach was applied to parametrize the PBPK model using the biodistribution data. Parametrizati

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