Cargando…

Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers

In many domains regulating chemicals and chemical products, there is a legal requirement to determine skin sensitivity to allergens. While many in vitro assays to detect contact hypersensitivity have been developed as alternatives to animal testing over the past ten years and significant progress ha...

Descripción completa

Detalles Bibliográficos
Autores principales: Russo, Giulia, Crispino, Elena, Corsini, Emanuela, Iulini, Martina, Paini, Alicia, Worth, Andrew, Pappalardo, Francesco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9674872/
https://www.ncbi.nlm.nih.gov/pubmed/36420145
http://dx.doi.org/10.1016/j.csbj.2022.10.032
_version_ 1784833243515715584
author Russo, Giulia
Crispino, Elena
Corsini, Emanuela
Iulini, Martina
Paini, Alicia
Worth, Andrew
Pappalardo, Francesco
author_facet Russo, Giulia
Crispino, Elena
Corsini, Emanuela
Iulini, Martina
Paini, Alicia
Worth, Andrew
Pappalardo, Francesco
author_sort Russo, Giulia
collection PubMed
description In many domains regulating chemicals and chemical products, there is a legal requirement to determine skin sensitivity to allergens. While many in vitro assays to detect contact hypersensitivity have been developed as alternatives to animal testing over the past ten years and significant progress has been made in this area, there is still a need for continued investment in the creation of techniques and strategies that will allow accurate identification of potential contact allergens and their potency in vitro. In silico models are promising tools in this regard. However, none of the state-of-the-art systems seems to function well enough to serve as a stand-alone hazard identification tool, especially in evaluating the possible allergenicity effects in humans. The Universal Immune System Simulator, a mechanistic computational platform that simulates the human immune system response to a specific insult, provides a means of predicting the immunotoxicity induced by skin sensitisers, enriching the collection of computational models for the assessment of skin sensitization. Here, we present a specific disease layer implementation of the Universal Immune System Simulator for the prediction of allergic contact dermatitis induced by specific skin sensitizers.
format Online
Article
Text
id pubmed-9674872
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Research Network of Computational and Structural Biotechnology
record_format MEDLINE/PubMed
spelling pubmed-96748722022-11-22 Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers Russo, Giulia Crispino, Elena Corsini, Emanuela Iulini, Martina Paini, Alicia Worth, Andrew Pappalardo, Francesco Comput Struct Biotechnol J Research Article In many domains regulating chemicals and chemical products, there is a legal requirement to determine skin sensitivity to allergens. While many in vitro assays to detect contact hypersensitivity have been developed as alternatives to animal testing over the past ten years and significant progress has been made in this area, there is still a need for continued investment in the creation of techniques and strategies that will allow accurate identification of potential contact allergens and their potency in vitro. In silico models are promising tools in this regard. However, none of the state-of-the-art systems seems to function well enough to serve as a stand-alone hazard identification tool, especially in evaluating the possible allergenicity effects in humans. The Universal Immune System Simulator, a mechanistic computational platform that simulates the human immune system response to a specific insult, provides a means of predicting the immunotoxicity induced by skin sensitisers, enriching the collection of computational models for the assessment of skin sensitization. Here, we present a specific disease layer implementation of the Universal Immune System Simulator for the prediction of allergic contact dermatitis induced by specific skin sensitizers. Research Network of Computational and Structural Biotechnology 2022-10-29 /pmc/articles/PMC9674872/ /pubmed/36420145 http://dx.doi.org/10.1016/j.csbj.2022.10.032 Text en © 2022 The Author(s) https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Research Article
Russo, Giulia
Crispino, Elena
Corsini, Emanuela
Iulini, Martina
Paini, Alicia
Worth, Andrew
Pappalardo, Francesco
Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
title Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
title_full Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
title_fullStr Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
title_full_unstemmed Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
title_short Computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
title_sort computational modelling and simulation for immunotoxicity prediction induced by skin sensitisers
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9674872/
https://www.ncbi.nlm.nih.gov/pubmed/36420145
http://dx.doi.org/10.1016/j.csbj.2022.10.032
work_keys_str_mv AT russogiulia computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers
AT crispinoelena computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers
AT corsiniemanuela computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers
AT iulinimartina computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers
AT painialicia computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers
AT worthandrew computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers
AT pappalardofrancesco computationalmodellingandsimulationforimmunotoxicitypredictioninducedbyskinsensitisers