A Computational Framework for Interspecies Pharmacokinetics, Exposure and Toxicity Assessment of Gold Nanoparticles

Lin, Zhoumeng; Monteiro‐Riviere, Nancy A.; Kannan, Raghuraman; Riviere, Jim E.

doi:10.2217/nnm.15.177

Cited by 93 publications

(89 citation statements)

References 50 publications

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“…The fat should also be selected as a single compartment for highly lipophilic compounds (Evans & Andersen, ). In the field of nanomaterial PBPK modeling, the liver, spleen, kidneys, and lungs are designated as individual compartments because they are major phagocytic organs where nanomaterials primarily accumulate (Bachler et al ., ; Lin et al ., ,b).…”

Section: Methodsmentioning

confidence: 99%

Mathematical modeling and simulation in animal health – Part II: principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment

Lin

Gehring

Mochel

et al. 2016

Vet Pharm & Therapeutics

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This review provides a tutorial for individuals interested in quantitative veterinary pharmacology and toxicology and offers a basis for establishing guidelines for physiologically based pharmacokinetic (PBPK) model development and application in veterinary medicine. This is important as the application of PBPK modeling in veterinary medicine has evolved over the past two decades. PBPK models can be used to predict drug tissue residues and withdrawal times in food-producing animals, to estimate chemical concentrations at the site of action and target organ toxicity to aid risk assessment of environmental contaminants and/or drugs in both domestic animals and wildlife, as well as to help design therapeutic regimens for veterinary drugs. This review provides a comprehensive summary of PBPK modeling principles, model development methodology, and the current applications in veterinary medicine, with a focus on predictions of drug tissue residues and withdrawal times in food-producing animals. The advantages and disadvantages of PBPK modeling compared to other pharmacokinetic modeling approaches (i.e., classical compartmental/noncompartmental modeling, nonlinear mixed-effects modeling, and interspecies allometric scaling) are further presented. The review finally discusses contemporary challenges and our perspectives on model documentation, evaluation criteria, quality improvement, and offers solutions to increase model acceptance and applications in veterinary pharmacology and toxicology.

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Section: Methodsmentioning

confidence: 99%

Mathematical modeling and simulation in animal health – Part II: principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment

Lin

Gehring

Mochel

et al. 2016

Vet Pharm & Therapeutics

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show abstract

“…Further, these studies suggest that certain animal models may be more appropriate for translating nanoparticle research to humans. Specifically, physiologically based pharmacokinetic modeling of gold nanoparticles has suggested that rats or pigs are more translatable models than typically utilized mouse models [39]. …”

Section: Challenges Presented By the Nanoparticle-biocoronamentioning

confidence: 99%

The biocorona: a challenge for the biomedical application of nanoparticles

Shannahan

2017

Nanotechnology Reviews

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Formation of the biocorona on the surface of nanoparticles is a significant obstacle for the development of safe and effective nanotechnologies, especially for nanoparticles with biomedical applications. Following introduction into a biological environment, nanoparticles are rapidly coated with biomolecules resulting in formation of the nanoparticle-biocorona. The addition of these biomolecules alters the nanoparticle’s physicochemical characteristics, functionality, biodistribution, and toxicity. To synthesize effective nanotherapeutics and to more fully understand possible toxicity following human exposures, it is necessary to elucidate these interactions between the nanoparticle and the biological media resulting in biocorona formation. A thorough understanding of the mechanisms by which the addition of the biocorona governs nanoparticle-cell interactions is also required. Through elucidating the formation and the biological impact of the biocorona, the field of nanotechnology can reach its full potential. This understanding of the biocorona will ultimately allow for more effective laboratory screening of nanoparticles and enhanced biomedical applications. The importance of the nanoparticle-biocorona has been appreciated for a decade; however, there remain numerous future directions for research which are necessary for study. This perspectives article will summarize the unique challenges presented by the nanoparticle-biocorona and avenues of future needed investigation.

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“…Their results showed no organ of any age group is exposed to titanium levels where adverse effects have been reported in vitro . In another recent study, Lin et al developed a PBPK model for AuNPs in rodents, pigs, and humans . This model can be used to aid risk assessment by predicting human equivalent doses associated with reported in vitro toxicity in human primary cells or in vivo toxicity in rats through in vitro to in vivo extrapolation and animal‐to‐human extrapolation.…”

Section: Modeling Of Nanomaterials Interactions—physical Statisticalmentioning

confidence: 99%

Biological and environmental surface interactions of nanomaterials: characterization, modeling, and prediction

Chen

Riviere

2016

WIREs Nanomed Nanobiotechnol

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The understanding of nano-bio interactions is deemed essential in the design, application, and safe handling of nanomaterials. Proper characterization of the intrinsic physicochemical properties, including their size, surface charge, shape, and functionalization, is needed to consider the fate or impact of nanomaterials in biological and environmental systems. The characterizations of their interactions with surrounding chemical species are often hindered by the complexity of biological or environmental systems, and the drastically different surface physicochemical properties among a large population of nanomaterials. The complexity of these interactions is also due to the diverse ligands of different chemical properties present in most biomacromolecules, and multiple conformations they can assume at different conditions to minimize their conformational free energy. Often these interactions are collectively determined by multiple physical or chemical forces, including electrostatic forces, hydrogen bonding, and hydrophobic forces, and calls for multidimensional characterization strategies, both experimentally and computationally. Through these characterizations, the understanding of the roles surface physicochemical properties of nanomaterials and their surface interactions with biomacromolecules can play in their applications in biomedical and environmental fields can be obtained. To quantitatively decipher these physicochemical surface interactions, computational methods, including physical, statistical, and pharmacokinetic models, can be used for either analyses of large amounts of experimental characterization data, or theoretical prediction of the interactions, and consequent biological behavior in the body after administration. These computational methods include molecular dynamics simulation, structure-activity relationship models such as biological surface adsorption index, and physiologically-based pharmacokinetic models. WIREs Nanomed Nanobiotechnol 2017, 9:e1440. doi: 10.1002/wnan.1440 For further resources related to this article, please visit the WIREs website.

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A Computational Framework for Interspecies Pharmacokinetics, Exposure and Toxicity Assessment of Gold Nanoparticles

Abstract: These results partially explain the current low translation rate of nanotechnology-based drug delivery systems from mice to humans. This simulation approach may be applied to other nanomaterials and provides guidance to design future translational studies.

Cited by 93 publications

References 50 publications

Mathematical modeling and simulation in animal health – Part II: principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment

Mathematical modeling and simulation in animal health – Part II: principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment

The biocorona: a challenge for the biomedical application of nanoparticles

Biological and environmental surface interactions of nanomaterials: characterization, modeling, and prediction

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