Practical use of the Virtual Cell Based Assay: Simulation of repeated exposure experiments in liver cell lines
作者： A. Paini , M. Mennecozzi , T. Horvat , K. Gerloff , T. Palosaari
DOI: 10.1016/J.TIV.2016.10.007
关键词: Virtual cell 、 Liver cell 、 Computer science 、 Single exposure 、 Biomedical engineering 、 In vivo 、 Toxicology 、 Human liver 、 In silico 、 Dose effect 、 Systemic toxicity
摘要: The Virtual Cell Based Assay (VCBA) was applied to simulate the long-term (repeat dose) toxic effects of chemicals, including substances in cosmetics and personal care products. presented model is an extension original VCBA for simulation single exposure implemented a KNIME workflow. This work illustrates steps taken repeated dose two reference compounds, caffeine amiodarone. Using caffeine, vitro experimental viability data from human liver cell lines, HepG2 HepaRG, were measured used optimize VCBA, subsequently simulations run. Amiodarone then tested performed under conditions HepaRG. results show that can adequately predict experiments lines. refined be not only support design long term but also practical applications risk assessment. Our step towards development silico predictive approaches replace, refine, reduce vivo systemic toxicity studies assessment safety.
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