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A Unified Cross Gestation PBPK Modelling Framework for Ultra Long-Acting Therapeutics

Funding
Funded
Study mode
Full-time
Duration
4 Years
Apply by
Start date
Subject area
Biological and Biomedical Sciences

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Overview

This project aims to develop a physiologically based pharmacokinetic (PBPK) modelling framework to accurately characterise the pharmacokinetics of ultra long‑acting (ULA) therapeutics throughout pregnancy. The resulting insights will support evidence‑based use of these drugs and improve understanding of fetal exposure for human‑relevant safety assessment.

About this opportunity

Background and Rationale: ULA therapeutics can sustain clinically meaningful drug levels for many months. When their prolonged exposure overlaps with conception, pregnancy, and the postpartum period, it becomes essential to predict maternal, placental, and fetal drug concentrations to support safe use, dose optimisation, and regulatory decision‑making. Current PBPK modelling approaches for pregnancy typically use discrete trimester-based models. While sufficient for short‑acting drugs, this approach introduces abrupt step changes in physiological parameters that are incompatible with the sustained presence of ULA agents. These discontinuities distort simulated concentration–time profiles and limit the reliability of predictions in both translational pharmacology and regulatory science. A cross-gestation PBPK modelling system—one that allows maternal physiology to evolve smoothly across gestation—would remove these artefacts and provide a transformative advance in the quantitative evaluation of ULA medicines during pregnancy.

 

Project Aim: To develop and validate a cross-gestation PBPK modelling strategy capable of predicting maternal, placental, fetal, and early postpartum exposure to ultra long‑acting therapeutics using a single, dynamical system without state resets.

 

Objectives

  1. Develop a baseline PBPK model for a non‑pregnant adult and an exemplar ULA therapeutic, capturing absorption, distribution, metabolism, and elimination with validation against published pharmacokinetic data.
  2. Create a continuous gestational physiology module that smoothly interpolates key physiological parameters across gestational age.
  3. Incorporate a placental–fetal unit and embed it into a unified cross‑gestation PBPK framework using mechanistic transfer processes and calibration against published placental and fetal data ranges.
  4. Apply and stress‑test the unified model, simulating drug exposure across pregnancy and early postpartum period.

 

Methodological Approach: The project will develop mechanistic PBPK models that integrate human physiological parameters with drug‑specific properties to generate realistic predictions of drug exposure from ultra long-acting formulations across pregnancy. PBPK model development will be performed using custom ODE‑based workflows implemented in MATLAB SimBiology and/or bespoke numerical solvers. Gestational trajectories for physiological and drug-specific parameters will be derived from published data. Model evaluation will include internal consistency checks, literature benchmarking, sensitivity analysis, and structural validation.

Training and Research Environment: The student will join the cross‑disciplinary Perinatal Pharmacology Group. The group integrates in silico PBPK modelling, human‑relevant in vitro new approach methodologies, and clinical research to generate evidence that informs recommendations on medicine use in the perinatal period. The Faculty of Health and Life Sciences provides strong interdisciplinary support, access to computational resources, and opportunities for wider collaboration with experts in reproductive health, pharmacology, and computational modelling.

 

The student will receive comprehensive training in:

  • Pharmacokinetics and maternal–fetal drug disposition
  • Numerical and computational modelling methods
  • PBPK modelling and systems pharmacology
  • Data synthesis, validation methods, and uncertainty analysis

 

Project Structure

  • Year 1: Training in PBPK modelling, numerical methods, and maternal–fetal physiology to facilitate the development and validation of the baseline adult PBPK model. Introduction to software platforms and sensitivity analysis tools.
  • Year 2: Construction of continuous gestational physiology modules. Development and integration of the placental–fetal subsystem. Iterative model refinement and internal validation.
  • Year 3: Full integration into a unified cross‑gestation PBPK framework. Application, stress‑testing, and comprehensive uncertainty analyses.
  • Year 4: Thesis writing, and dissemination of findings.

Further reading

  • Atoyebi SA, Rajoli RKR, Adejuyigbe E, et al. Using mechanistic physiologically-based pharmacokinetic models to assess prenatal drug exposure: Thalidomide versus efavirenz as case studies. Eur J Pharm Sci. 2019;140:105068. https://doi.org/10.1016/j.ejps.2019.105068
  • Shenkoya B, Atoyebi S, Eniayewu I, Akinloye A, Olagunju A. Mechanistic Modeling of Maternal Lymphoid and Fetal Plasma Antiretroviral Exposure During the Third Trimester. Front Pediatr. 2021;9:734122. https://doi.org/10.3389/fped.2021.734122
  • Atoyebi S, Bunglawala F, Cottura N, et al. Physiologically-based pharmacokinetic modelling of long-acting injectable cabotegravir and rilpivirine in pregnancy. Br J Clin Pharmacol. 2025;91(4):989-1002. https://doi.org/10.1111/bcp.16006
  • Bediako-Kakari P, Monyo M, Atoyebi S, Olagunju A. Comparative modelling of foetal exposure to maternal long-acting injectable versus oral daily antipsychotics. NPJ Womens Health. 2025;3(1):31. https://doi.org/10.1038/s44294-025-00077-9
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Who is this for?

We are seeking intellectually motivated candidates with a master’s degree in a relevant science discipline and a strong interest in drug development for pregnant women. The ideal candidate will have a working knowledge of at least one PBPK modelling platform.

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How to apply

  1. 1. Contact supervisors

    Interested candidates should first submit an informal expression of interest before being invited to complete a formal application through the University of Liverpool Application Portal. To begin this initial stage, please email the following documents directly to the project supervisor, Dr Adeniyi Olagunju (email: olagunju@liverpool.ac.uk):

    • CV
    • Cover letter highlighting your motivation and suitability for the project
    • Project title

    Informal applications will be reviewed for suitability and background fit. Shortlisted applicants will then be contacted with instructions on how to submit a full, formal application via the University of Liverpool’s Application Portal.

    Supervisor title and name Email address Staff profile URL
    Dr Adeniyi Olagunju olagunju@liverpool.ac.uk https://www.liverpool.ac.uk/people/adeniyi-olagunju
  2. 2. Prepare your application documents

    You may need the following documents to complete your online application:

    • A research proposal (this should cover the research you’d like to undertake)
    • University transcripts and degree certificates to date
    • Passport details (international applicants only)
    • English language certificates (international applicants only)
    • A personal statement
    • A curriculum vitae (CV)
    • Contact details for two proposed supervisors
    • Names and contact details of two referees.
  3. 3. Apply

    Finally, register and apply online. You'll receive an email acknowledgment once you've submitted your application. We'll be in touch with further details about what happens next.

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Funding your PhD

This is a 4‑year, fully funded studentship available to UK Home Students only. The award covers full tuition fees and a stipend for living expenses for the full duration of the 4‑year programme.

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Contact us

Have a question about this research opportunity or studying a PhD with us? Please get in touch with us, using the contact details below, and we’ll be happy to assist you.

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