In silico prediction of toxicity and its applications for chemicals at work

Rim, Kyung-Taek

doi:10.1007/s13530-020-00056-4

Cited by 97 publications

(40 citation statements)

References 57 publications

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“…The PreADMET package is a software for toxicity prediction which includes information based on studies in which mice were treated with a particular chemical for two years, to assess cancer development and information obtained by applying the Ames test, to assess genotoxicity (70).…”

Section: The Use Of In Silico Methods In Impurity Assessment In Drugsmentioning

confidence: 99%

'In silico' toxicology methods in drug safety assessment

Đukić-Ćosić¹,

Baralić²,

Jorgovanović³

et al. 2021

Arhiv za farmaciju

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While experimental animal investigation has historically been the most conventional approach conducted to assess drug safety and is currently considered the main method for determining drug toxicity, these studies are constricted by cost, time, and ethical approvals. Over the last 20 years, there have been significant advances in computational sciences and computer data processing, while knowledge of alternative techniques and their application has developed into a valuable skill in toxicology. Thus, the application of in silico methods in drug safety assessment is constantly increasing. They are very complex and are grounded on accumulated knowledge from toxicology, bioinformatics, biochemistry, statistics, mathematics, as well as molecular biology. This review will summarize current state-of-the-art scientific data on the use of in silico methods in toxicity testing, taking into account their shortcomings, and highlighting the strategies that should deliver consistent results, while covering the applications of in silico methods in preclinical trials and drug impurities toxicity testing.

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Section: The Use Of In Silico Methods In Impurity Assessment In Drugsmentioning

confidence: 99%

'In silico' toxicology methods in drug safety assessment

Đukić-Ćosić¹,

Baralić²,

Jorgovanović³

et al. 2021

Arhiv za farmaciju

View full text Add to dashboard Cite

show abstract

“…Thus, QSAR studies represent a good option to replace in vivo testing. In this sense, defined endpoint, unambiguous algorithm, defined domain of applicability, robustness, predictivity, and data curation must be mandatory principles to obtain an adequate and reliable QSAR result to ensure the success of this approach 20–22 …”

Section: Virtual Compound Screening Approachmentioning

confidence: 99%

Strategies to apply 3Rs in preclinical testing

Gorzalczany

Basso

2021

Pharmacology Res & Perspec

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Animal experimentation has been fundamental in biological and biomedical research. To guarantee the maximum quality, efficacy and/or safety of products intended for the use in humans in vivo testing is necessary; however, for over 60 years, alternative methods have been developed in response to the necessity to reduce the number of animals used in experimentation, to guarantee their welfare; resorting to animal models only when strictly necessary. The three Rs (Replacement, Reduction, and Refinement), seek to ensure the rational and respectful use of laboratory animals and maintain an adequate projection in terms of bioethical considerations. This article describes different approaches to apply 3Rs in preclinical experimentation for either research or regulatory purposes.

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“…Advances in molecular biology and bioinformatics have led to the development of disciplines that focus on the organization and analysis of large-scale biological data [ 15 , 16 ]. Toxicogenomics (a combination of toxicology and genomics) is a field that studies genomic responses to xenobiotic exposures [ 17 , 18 ].…”

Section: Introductionmentioning

confidence: 99%

Formaldehyde exposure and leukemia risk: a comprehensive review and network-based toxicogenomic approach

et al. 2021

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Formaldehyde is a widely used but highly reactive and toxic chemical. The International Agency for Research on Cancer classifies formaldehyde as a Group 1 carcinogen, based on nasopharyngeal cancer and leukemia studies. However, the correlation between formaldehyde exposure and leukemia incidence is a controversial issue. To understand the association between formaldehyde exposure and leukemia, we explored biological networks based on formaldehyde-related genes retrieved from public and commercial databases. Through the literature-based network approach, we summarized qualitative associations between formaldehyde exposure and leukemia. Our results indicate that oxidative stress-mediated genetic changes induced by formaldehyde could disturb the hematopoietic system, possibly leading to leukemia. Furthermore, we suggested major genes that are thought to be affected by formaldehyde exposure and associated with leukemia development. Our suggestions can be used to complement experimental data for understanding and identifying the leukemogenic mechanism of formaldehyde.

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In silico prediction of toxicity and its applications for chemicals at work

Cited by 97 publications

References 57 publications

'In silico' toxicology methods in drug safety assessment

'In silico' toxicology methods in drug safety assessment

Strategies to apply 3Rs in preclinical testing

Formaldehyde exposure and leukemia risk: a comprehensive review and network-based toxicogenomic approach

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