Predictive Modelling of Allergic Responses to Chemical Sensitizers: Distinguishing Skin and Respiratory Reactions.

2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)(2023)

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摘要
Chemicals such as trimellitic anhydride and toluene diisocyanate can induce allergic reactions, leading to conditions like occupational asthma and rhinitis. Although they manifest differently, these sensitizers possess shared characteristics, notably their low molecular weight and the capacity to trigger immune responses upon protein binding. This study utilizes the Universal Immune System Simulator to simulate immune reactions to these chemicals. Results indicate that the Universal Immune System Simulator can closely replicate trimellitic anhydride induced immune reactions, primarily showing Th2-type responses with cytokine patterns typical of allergies. These findings underscore the Universal Immune System Simulator's potential in predicting immune reactions to certain chemicals, offering insights into the distinctions between skin and respiratory sensitizers. Upcoming research seeks to further elucidate the immunotoxic pathways of these agents, enabling differentiation based on unique immune reactions.
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关键词
Skin sensitizers,Respiratory sensitizers,UISS-TOX,computational modelling,immunotoxicity,risk assessment,in silico trials
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