Safeguarding human health using in silico tools?

Bossuyt, Melissa Van; Hoeck, Els Van; Vanhaecke, Tamara; Rogiers, Vera; Mertens, Birgit

doi:10.1007/s00204-017-1931-z

Cited by 7 publications

(4 citation statements)

References 13 publications

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“…The NIAS in PET bottles made from one type of virgin PET and three different types of recycled PET (rPET-A: Mono-collection and -B & -C co-collection and sorting systems) were studied by van Velzen et al (2020). The three chosen types of rPET pellets were mixed with virgin PET pellets (0:100%, 25:75%, 50:50%, 75:25%, 100:0%) and used to produce PET bottles at a small-scale production facility.…”

Section: Inclusion Criteria Exclusion Criteriamentioning

confidence: 99%

“…Moreover, the TTC approach may not be applicable for non-monotonic substances such as endocrine-disrupting chemicals, since they do not obey the principles of toxicology (the response of an organism to a toxicant does not increase with increasing level of exposure (Beausoleil et al, 2013)). Therefore, it should be noted that the TTC approach is known to be associated with scientific uncertainty (Bschir, 2017;Van Bossuyt et al, 2017). Therefore, although the TTC approach is recommended as a useful screening tool to assess low-dose chemical exposures and could, in principle, be applied to many substances with known structures, the applicability/nonapplicability of the TTC approach should be decided on a case-by-case basis (Canady et al, 2013;More et al, 2019).…”

Section: Analysis Of the Steps Conducted In The Selected Articlesmentioning

confidence: 99%

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Non‐permanent primary food packaging materials assessment: Identification, migration, toxicity, and consumption of substances

Etxabide

Young

Bremer

et al. 2022

Comp Rev Food Sci Food Safe

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Almost all processed food comes packaged in either plastic, glass, metal, or paper and paperboard materials, and many packaging materials are disposed of after a single use (linear economy). Based on the concept of a circular economy, the recycling of food packaging materials has become one of the main targets for industries and regulators around the world. However, recycling presents particular challenges, mainly related to the recycled material composition, which determines its reusability, application, functionality, and chemical safety. In this latter matter, it has been demonstrated that the use of recycled food packaging materials increases the number and possible sources of substances that could be present in the packaging material, which is of concern as substances that can migrate into food and cause health hazards upon consumption. This review compiles information regarding substances detected in non-permanent food packaging materials, focusing mainly on plastics, paper, and paperboards. The compilation of literature studies (110 research articles) on the presence of intentionally added substances (IAS) and non-intentionally added substances (NIAS) in food packaging materials, their migration, toxicity, and dietary exposure has been summarized, evaluated, and discussed. In addition, current sustainable food packaging trends have been mentioned. Finally, approaches to reduce the presence, migration, and potential exposure to substances that have migrated from packaging materials into food have been reviewed.

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Section: Inclusion Criteria Exclusion Criteriamentioning

confidence: 99%

Section: Analysis Of the Steps Conducted In The Selected Articlesmentioning

confidence: 99%

Non‐permanent primary food packaging materials assessment: Identification, migration, toxicity, and consumption of substances

Etxabide

Young

Bremer

et al. 2022

Comp Rev Food Sci Food Safe

View full text Add to dashboard Cite

show abstract

“…In silico methodologies are rapidly gaining importance, since their time-and resource-saving characteristics are increasingly valued, including by regulatory authorities (Raunio, 2011;Van Bossuyt et al, 2017). In contrast to the abundant number of well-performing gene mutation prediction models that have been developed over the past 30 years, models to predict chromosome damaging potential are considerably scarcer and show lower performance (Hayashi, 2012;Morita et al, 2019).…”

Section: Introductionmentioning

confidence: 99%

New QSAR models to predict chromosome damaging potential based on the in vivo micronucleus test

et al. 2020

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“…This is in contrast to the situation of chemical regulation, for example under the European REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals), where compound availability is usually not a limiting factor. In these situations, in silico tools are mainly applied for priority setting for previously non‐evaluated substances or in an integrated approach as established for skin sensitization which allows the combined use of in silico , in chemico and in vitro methods .…”

mentioning

confidence: 99%

Improving the Safety Assessment of Chemicals and Drug Candidates by the Integration of Bioinformatics and Chemoinformatics Data

Steger‐Hartmann

Philippe

2018

Basic Clin Pharma Tox

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The application of read-across and in silico tools for regulatory decision-making has been limited for pharmaceutical compounds to the assessment of genotoxic impurity. In contrast, the broad availability of toxicity data for industrial chemicals has triggered regulatory frameworks for read-across (e.g. ECHA Read-Across Assessment Framework), software tools and public databases for an automated process of gap filling in the context of safety assessment. This MiniReview provides an overview of the currently existing in silico and read-across approaches for chemicals together with recent developments for pharmaceutical compounds in these areas. It also highlights the differences and commonalities in the in silico safety assessment of industrial chemicals and drug candidates. Whereas toxicity data collection and sharing is now common practice for chemicals falling under the European REACH regulation (Registration, Evaluation, Authorisation and Restriction of Chemicals), the biggest hurdle for establishing preclinical safety databases for pharmaceutical compounds is the unwillingness to share proprietary data and lack of published data sets. In a recent consortium approach, thirteen pharmaceutical companies, eleven academic partners and six small to medium size enterprises (SMEs) of the bioinformatics sector joined forces over the last 7 years within the European Innovative Medicines Initiative project eTOX ('electronic toxicity') to design and implement a strategy for leveraging these preclinical data for small molecules and sharing them across project partners. The eTOX database has evolved as the largest preclinical toxicity database for drugs and drug candidates and currently contains more than 1900 different chemical structures and more than 8000 in vivo toxicity study data sets. It can be foreseen that the development and application of such databases for drugs or drug candidates will in the future also cross-fertilize the read-across and the in silico assessment of industrial or consumer chemicals particularly as soon as human safety data from clinical trials are integrated too.

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Safeguarding human health using in silico tools?

Cited by 7 publications

References 13 publications

Non‐permanent primary food packaging materials assessment: Identification, migration, toxicity, and consumption of substances

Non‐permanent primary food packaging materials assessment: Identification, migration, toxicity, and consumption of substances

New QSAR models to predict chromosome damaging potential based on the in vivo micronucleus test

Improving the Safety Assessment of Chemicals and Drug Candidates by the Integration of Bioinformatics and Chemoinformatics Data

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