Multiscale modelling approaches for assessing cosmetic ingredients safety

Bois, Frédéric Y.; Ochoa, Juan G. Díaz; Gajewska, M; Kovarich, Simona; Mauch, Klaus; Paini, Alicia; Pery, Alexandre R.R.; Benito, J.V. Sala; Teng, Sophie; Worth, Andrew

doi:10.1016/j.tox.2016.05.026

Cited by 26 publications

(19 citation statements)

References 63 publications

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“…EU COSMOS project 2 was one of them. Within this project 11 chemical specific PBK models were developed (Bois et al, 2017 ; Sala Benito et al, 2017 ). The COSMOS models were inserted in previously mentioned KNIME versions, with two possibilities for execution—locally, on a desktop computer, or remotely, using web browser and KNIME WebPortal 3 .…”

Section: Developed Methods For Liver and Lung Cells Analysis—toxicolomentioning

confidence: 99%

In vitro Models and On-Chip Systems: Biomaterial Interaction Studies With Tissues Generated Using Lung Epithelial and Liver Metabolic Cell Lines

Nikolić

Šušteršič

Filipović

2018

Front. Bioeng. Biotechnol.

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In vitro models are very important in medicine and biology, because they provide an insight into cells' and microorganisms' behavior. Since these cells and microorganisms are isolated from their natural environment, these models may not completely or precisely predict the effects on the entire organism. Improvement in this area is secured by organ-on-a-chip development. The organ-on-a-chip assumes cells cultured in a microfluidic chip. The chip simulates bioactivities, mechanics and physiological behavior of organs or organ systems, generating artificial organs in that way. There are several cell lines used so far for each tested artificial organ. For lungs, mostly used cell lines are 16HBE, A549, Calu-3, NHBE, while mostly used cell lines for liver are HepG2, Hep 3B, TPH1, etc. In this paper, state of the art for lung and liver organ-on-a-chip is presented, together with the established in vitro testing on lung and liver cell lines, with the emphasis on Calu-3 (for lung cell lines) and Hep-G2 (for liver cell lines). Primary focus in this review is to discuss different researches on the topics of lung and liver cell line models, approaches in determining fate and transport, cell partitioning, cell growth and division, as well as cell dynamics, meaning toxicity and effects. The review is finalized with current research gaps and problems, stating potential future developments in the field.

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Section: Developed Methods For Liver and Lung Cells Analysis—toxicolomentioning

confidence: 99%

In vitro Models and On-Chip Systems: Biomaterial Interaction Studies With Tissues Generated Using Lung Epithelial and Liver Metabolic Cell Lines

Nikolić

Šušteršič

Filipović

2018

Front. Bioeng. Biotechnol.

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“…These modelling approaches are recognised for the crucial role they play in, for example, predicting the biokinetics of drugs and chemicals in the organism without the need to conduct in vivo experiments. For more than 40 years, physiologically-based kinetic (PBK) models have been used to simulate biokinetics [2] , [41] , [28] , [11] . In PBK models, the body is represented as a series of interconnected compartments linked via blood flow, as depicted in the schematic below ( Fig.…”

Section: Introductionmentioning

confidence: 99%

Next generation physiologically based kinetic (NG-PBK) models in support of regulatory decision making

Paini

Leonard

Joossens

et al. 2019

Computational Toxicology

101

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Highlights PBK models have helped to facilitate quantitative in vitro to in vivo extrapolation. PBK modelling has the potential to play a significant role in reducing animal testing. It is critical to assess the validity of PBK models built using non-animal data. A framework is needed for communicating characteristics and results of PBK modelling.

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“…Clearly some of the data gaps resulting from these challenges can be partially addressed or overcome through experimental and technological improvement, such as developing organ-on-a-chip and system-on-a-chip technology to better simulate chemical metabolism and physiological interactions, and using cells from a large number of donors to better represent human populations ( 19 – 21 ). However, there are fundamental limitations of the in vitro testing framework that cannot be easily improved through experimental means, and would require a computational approach to help bridge the data gaps in a feasible and cost-effective way ( 22 ). Indeed, dose-response and extrapolation modeling is a central pillar that was proposed to support the interpretation of in vitro assays in the new toxicity testing and risk science paradigm ( 2 , 7 , 23 ).…”

Section: Introductionmentioning

confidence: 99%

Bridging the Data Gap From in vitro Toxicity Testing to Chemical Safety Assessment Through Computational Modeling

Zhang

Jin

Middleton

et al. 2018

Front. Public Health

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Chemical toxicity testing is moving steadily toward a human cell and organoid-based in vitro approach for reasons including scientific relevancy, efficiency, cost, and ethical rightfulness. Inferring human health risk from chemical exposure based on in vitro testing data is a challenging task, facing various data gaps along the way. This review identifies these gaps and makes a case for the in silico approach of computational dose-response and extrapolation modeling to address many of the challenges. Mathematical models that can mechanistically describe chemical toxicokinetics (TK) and toxicodynamics (TD), for both in vitro and in vivo conditions, are the founding pieces in this regard. Identifying toxicity pathways and in vitro point of departure (PoD) associated with adverse health outcomes requires an understanding of the molecular key events in the interacting transcriptome, proteome, and metabolome. Such an understanding will in turn help determine the sets of sensitive biomarkers to be measured in vitro and the scope of toxicity pathways to be modeled in silico. In vitro data reporting both pathway perturbation and chemical biokinetics in the culture medium serve to calibrate the toxicity pathway and virtual tissue models, which can then help predict PoDs in response to chemical dosimetry experienced by cells in vivo. Two types of in vitro to in vivo extrapolation (IVIVE) are needed. (1) For toxic effects involving systemic regulations, such as endocrine disruption, organism-level adverse outcome pathway (AOP) models are needed to extrapolate in vitro toxicity pathway perturbation to in vivo PoD. (2) Physiologically-based toxicokinetic (PBTK) modeling is needed to extrapolate in vitro PoD dose metrics into external doses for expected exposure scenarios. Linked PBTK and TD models can explore the parameter space to recapitulate human population variability in response to chemical insults. While challenges remain for applying these modeling tools to support in vitro toxicity testing, they open the door toward population-stratified and personalized risk assessment.

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Multiscale modelling approaches for assessing cosmetic ingredients safety

Cited by 26 publications

References 63 publications

In vitro Models and On-Chip Systems: Biomaterial Interaction Studies With Tissues Generated Using Lung Epithelial and Liver Metabolic Cell Lines

In vitro Models and On-Chip Systems: Biomaterial Interaction Studies With Tissues Generated Using Lung Epithelial and Liver Metabolic Cell Lines

Next generation physiologically based kinetic (NG-PBK) models in support of regulatory decision making

Bridging the Data Gap From in vitro Toxicity Testing to Chemical Safety Assessment Through Computational Modeling

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