Advances in Physiologically Based Pharmacokinetic (PBPK) Modeling and Applications

A special issue of Pharmaceutics (ISSN 1999-4923). This special issue belongs to the section "Pharmacokinetics and Pharmacodynamics".

Deadline for manuscript submissions: 31 January 2026 | Viewed by 1364

Special Issue Editor


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Guest Editor
College of Pharmacy and Research Institute for Drug Development, Pusan National University, Geumjeong-gu, Busan 46241, Republic of Korea
Interests: bioanalysis; biopharmaceutics; pharmacokinetics; DMPK; PBPK/PD modeling

Special Issue Information

Dear Colleagues,

Physiologically based pharmacokinetic (PBPK) modeling is a mathematical approach utilized to predict the absorption, distribution, metabolism, and excretion (ADME) of both synthetic and naturally occurring chemical substances in humans and various animal species. The utility of physiologically based pharmacokinetic (PBPK) models has been substantiated across multiple academic and industrial domains, encompassing stages of drug development, clinical simulations, and regulatory science.

Since its inception and initial phases, this model has exhibited considerable utility in the field of drug development. During the early stages, in vitro data and physicochemical properties can be employed to generate pharmacokinetic profiles, which are subsequently validated through in vivo studies. In the later phases of clinical development, simulations may be utilized to elucidate drug performance within specific populations.

In this Special Issue, original research articles and reviews are welcome to be submitted. Research areas may include, but are not limited to, the following: PBPK modeling and simulation, including the pharmacokinetics of populations, drug–drug interactions, the integration of tissue concentration, PBPK-based precision dosing, PBPK/PD modeling, PBPK-based quantitative systems pharmacology (QSP) approaches, etc.

Dr. Dong‑Gyun Han
Guest Editor

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Keywords

  • physiologically based pharmacokinetic (PBPK) modeling
  • IVIVE
  • pharmacokinetics
  • ADME
  • modeling and simulation
  • PK/PD
  • biopharmaceutics
  • quantitative systems pharmacology

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Published Papers (1 paper)

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Research

20 pages, 3849 KiB  
Article
Leveraging Omeprazole PBPK/PD Modeling to Inform Drug–Drug Interactions and Specific Recommendations for Pediatric Labeling
by Amira Soliman, Leyanis Rodriguez-Vera, Ana Alarcia-Lacalle, Leandro F. Pippa, Saima Subhani, Viera Lukacova, Jorge Duconge, Natalia V. de Moraes and Valvanera Vozmediano
Pharmaceutics 2025, 17(3), 373; https://doi.org/10.3390/pharmaceutics17030373 - 14 Mar 2025
Viewed by 1030
Abstract
Background/Objectives: Omeprazole is widely used for managing gastrointestinal disorders like GERD, ulcers, and H. pylori infections. However, its use in pediatrics presents challenges due to drug interactions (DDIs), metabolic variability, and safety concerns. Omeprazole’s pharmacokinetics (PK), primarily influenced by CYP2C19 metabolism, is affected [...] Read more.
Background/Objectives: Omeprazole is widely used for managing gastrointestinal disorders like GERD, ulcers, and H. pylori infections. However, its use in pediatrics presents challenges due to drug interactions (DDIs), metabolic variability, and safety concerns. Omeprazole’s pharmacokinetics (PK), primarily influenced by CYP2C19 metabolism, is affected by ontogenetic changes in enzyme expression, complicating dosing in children. Methods: This study aimed to develop and validate a physiologically based pharmacokinetic (PBPK) model for omeprazole and its metabolites to predict age-related variations in metabolism and response. Results: The PBPK model successfully predicted exposure to parent and metabolites in adults and pediatrics, incorporating competitive and mechanism-based inhibition of CYP2C19 and CYP3A4 by omeprazole and its metabolites. By accounting for age-dependent metabolic pathways, the model enabled priori predictions of omeprazole exposure in different age groups. Linking PK to the pharmacodynamics (PD) model, we described the impact of age-related physiological changes on intragastric pH, the primary outcome for proton pump inhibitors efficacy. Conclusions: The PBPK-PD model allowed for the virtual testing of dosing scenarios, providing an alternative to clinical studies in pediatrics where traditional DDI studies are challenging. This approach offers valuable insights for accurate dosing recommendations in pediatrics, accounting for age-dependent variability in metabolism, and underscores the potential of PBPK modeling in guiding pediatric drug development. Full article
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