TY - JOUR

T1 - Physiologically Based Pharmacokinetic Modeling of Nanoparticle Biodistribution: A Review of Existing Models, Simulation Software, and Data Analysis Tools

AU - Кутумова, Елена О.

AU - Акбердин, Илья Ринатович

AU - Киселев, Илья Н.

AU - Шарипов, Руслан Нильевич

AU - Егорова, Вера С.

AU - Сырочева, Анастасия О.

AU - Parodi, Alessandro

AU - Замятнин, Андрей А.

AU - Колпаков, Федор А.

N1 - Publisher Copyright: © 2022 by the authors.

PY - 2022/10/19

Y1 - 2022/10/19

N2 - Cancer treatment and pharmaceutical development require targeted treatment and less toxic therapeutic intervention to achieve real progress against this disease. In this scenario, nanomedicine emerged as a reliable tool to improve drug pharmacokinetics and to translate to the clinical biologics based on large molecules. However, the ability of our body to recognize foreign objects together with carrier transport heterogeneity derived from the combination of particle physical and chemical properties, payload and surface modification, make the designing of effective carriers very difficult. In this scenario, physiologically based pharmacokinetic modeling can help to design the particles and eventually predict their ability to reach the target and treat the tumor. This effort is performed by scientists with specific expertise and skills and familiarity with artificial intelligence tools such as advanced software that are not usually in the “cords” of traditional medical or material researchers. The goal of this review was to highlight the advantages that computational modeling could provide to nanomedicine and bring together scientists with different background by portraying in the most simple way the work of computational developers through the description of the tools that they use to predict nanoparticle transport and tumor targeting in our body.

AB - Cancer treatment and pharmaceutical development require targeted treatment and less toxic therapeutic intervention to achieve real progress against this disease. In this scenario, nanomedicine emerged as a reliable tool to improve drug pharmacokinetics and to translate to the clinical biologics based on large molecules. However, the ability of our body to recognize foreign objects together with carrier transport heterogeneity derived from the combination of particle physical and chemical properties, payload and surface modification, make the designing of effective carriers very difficult. In this scenario, physiologically based pharmacokinetic modeling can help to design the particles and eventually predict their ability to reach the target and treat the tumor. This effort is performed by scientists with specific expertise and skills and familiarity with artificial intelligence tools such as advanced software that are not usually in the “cords” of traditional medical or material researchers. The goal of this review was to highlight the advantages that computational modeling could provide to nanomedicine and bring together scientists with different background by portraying in the most simple way the work of computational developers through the description of the tools that they use to predict nanoparticle transport and tumor targeting in our body.

KW - BioUML

KW - nanoparticles

KW - physiologically based pharmacokinetic modeling

KW - simulation software

UR - http://www.scopus.com/inward/record.url?scp=85140817428&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/03d1887f-8b56-32de-83a4-312c97472144/

U2 - 10.3390/ijms232012560

DO - 10.3390/ijms232012560

M3 - Review article

C2 - 36293410

VL - 23

JO - International Journal of Molecular Sciences

JF - International Journal of Molecular Sciences

SN - 1661-6596

IS - 20

M1 - 12560

ER -