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

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Modular Representation of Physiologically Based Pharmacokinetic Models: Nanoparticle Delivery to Solid Tumors in Mice as an Example. / Kutumova, Elena; Akberdin, Ilya; Kiselev, Ilya et al.

In: Mathematics, Vol. 10, No. 7, 1176, 01.04.2022.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{e66215990dda4e4a97c104d5707eb8c3,

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

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, GOLD NANOPARTICLES, DRUG, PRINCIPLES, NETWORKS, SYSTEMS, CELL",

author = "Elena Kutumova and Ilya Akberdin and Ilya Kiselev and Ruslan Sharipov and Fedor Kolpakov",

note = "Funding Information: Funding: This research was funded by the Russian Science Foundation (project 21-75-30020). Publisher Copyright: {\textcopyright} 2022 by the authors. Licensee MDPI, Basel, Switzerland.",

year = "2022",

month = apr,

day = "1",

doi = "10.3390/math10071176",

language = "English",

volume = "10",

journal = "Mathematics",

issn = "2227-7390",

publisher = "MDPI AG",

number = "7",

}

RIS

TY - JOUR

T1 - Modular Representation of Physiologically Based Pharmacokinetic Models: Nanoparticle Delivery to Solid Tumors in Mice as an Example

AU - Kutumova, Elena

AU - Akberdin, Ilya

AU - Kiselev, Ilya

AU - Sharipov, Ruslan

AU - Kolpakov, Fedor

PY - 2022/4/1

Y1 - 2022/4/1

N2 - 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.

AB - 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.

KW - modular model

KW - nanoparticles

KW - physiologically based pharmacokinetic modeling

KW - nanoparticle delivery to tumors

KW - BioUML

KW - GOLD NANOPARTICLES

KW - DRUG

KW - PRINCIPLES

KW - NETWORKS

KW - SYSTEMS

KW - CELL

UR - http://www.scopus.com/inward/record.url?scp=85128502994&partnerID=8YFLogxK

U2 - 10.3390/math10071176

DO - 10.3390/math10071176

M3 - Article

VL - 10

JO - Mathematics

JF - Mathematics

SN - 2227-7390

IS - 7

M1 - 1176

ER -

ID: 35906636