Modular Representation of Physiologically Based Pharmacokinetic Models: Nanoparticle Delivery to Solid Tumors in Mice as an Example

Elena Kutumova, Ilya Akberdin, Ilya Kiselev, Ruslan Sharipov and Fedor Kolpakov
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Elena Kutumova: Department of Computational Biology, Sirius University of Science and Technology, 354340 Sochi, Russia
Ilya Akberdin: Department of Computational Biology, Sirius University of Science and Technology, 354340 Sochi, Russia
Ilya Kiselev: Department of Computational Biology, Sirius University of Science and Technology, 354340 Sochi, Russia
Ruslan Sharipov: Department of Computational Biology, Sirius University of Science and Technology, 354340 Sochi, Russia
Fedor Kolpakov: Department of Computational Biology, Sirius University of Science and Technology, 354340 Sochi, Russia

Mathematics, 2022, vol. 10, issue 7, 1-20

Abstract: Here we describe a toolkit for presenting physiologically based pharmacokinetic (PBPK) models in a modular graphical view in the BioUML platform. Firstly, we demonstrate the BioUML capabilities for PBPK modeling tested on an existing model of nanoparticles delivery to solid tumors in mice. Secondly, we provide guidance on the conversion of the PBPK model code from a text modeling language like Berkeley Madonna to a visual modular diagram in the BioUML. We give step-by-step explanations of the model transformation and demonstrate that simulation results from the original model are exactly the same as numerical results obtained for the transformed model. The main advantage of the proposed approach is its clarity and ease of perception. Additionally, the modular representation serves as a simplified and convenient base for in silico investigation of the model and reduces the risk of technical errors during its reuse and extension by concomitant biochemical processes. In summary, this article demonstrates that BioUML can be used as an alternative and robust tool for PBPK modeling.

Keywords: modular model; nanoparticles; physiologically based pharmacokinetic modeling; nanoparticle delivery to tumors; BioUML (search for similar items in EconPapers)
JEL-codes: C (search for similar items in EconPapers)
Date: 2022
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