Mathematical modeling and sensitivity analysis of hypoxia-activated drugs

Fuente: arXiv
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Hauptverfasser: Coclite, Alessandro, Eccher, Riccardo Montanelli, Possenti, Luca, Vitullo, Piermario, Zunino, Paolo
Format: Preprint
Veröffentlicht: 2025
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author Coclite, Alessandro
Eccher, Riccardo Montanelli
Possenti, Luca
Vitullo, Piermario
Zunino, Paolo
author_facet Coclite, Alessandro
Eccher, Riccardo Montanelli
Possenti, Luca
Vitullo, Piermario
Zunino, Paolo
contents Hypoxia-activated prodrugs offer a promising strategy for targeting oxygen-deficient regions in solid tumors, which are often resistant to conventional therapies. However, modeling their behavior is challenging because of the complex interplay between oxygen availability, drug activation, and cell survival. In this work, we develop a multiscale and mixed-dimensional model that couples spatially resolved drug and oxygen transport with pharmacokinetics and pharmacodynamics to simulate the cellular response. The model integrates blood flow, oxygen diffusion and consumption, drug delivery, and metabolism. To reduce computational cost, we mitigate the global nonlinearity through a one-way coupling of the multiscale and mixed/dimensional models with a reduced 0D model for the drug metabolism. The global sensitivity analysis is then used to identify key parameters influencing drug activation and therapeutic outcome. This approach enables efficient simulation and supports the design of optimized hypoxia-targeted therapies.
format Preprint
id arxiv_https___arxiv_org_abs_2507_15642
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Mathematical modeling and sensitivity analysis of hypoxia-activated drugs
Coclite, Alessandro
Eccher, Riccardo Montanelli
Possenti, Luca
Vitullo, Piermario
Zunino, Paolo
Numerical Analysis
92C50, 92C45, 35Q92, 35R20, 65M60
Hypoxia-activated prodrugs offer a promising strategy for targeting oxygen-deficient regions in solid tumors, which are often resistant to conventional therapies. However, modeling their behavior is challenging because of the complex interplay between oxygen availability, drug activation, and cell survival. In this work, we develop a multiscale and mixed-dimensional model that couples spatially resolved drug and oxygen transport with pharmacokinetics and pharmacodynamics to simulate the cellular response. The model integrates blood flow, oxygen diffusion and consumption, drug delivery, and metabolism. To reduce computational cost, we mitigate the global nonlinearity through a one-way coupling of the multiscale and mixed/dimensional models with a reduced 0D model for the drug metabolism. The global sensitivity analysis is then used to identify key parameters influencing drug activation and therapeutic outcome. This approach enables efficient simulation and supports the design of optimized hypoxia-targeted therapies.
title Mathematical modeling and sensitivity analysis of hypoxia-activated drugs
topic Numerical Analysis
92C50, 92C45, 35Q92, 35R20, 65M60
url https://arxiv.org/abs/2507.15642