Extension of the virtual cell based assay from a 2D to a 3D cell-culture model
2021
BEDNARCZYK Ewa | LU Yanfei | PAINI Alicia | BATISTA LEITE Sofia | VAN GRUNSVEN Leo | WORTH Andrew | WHELAN Maurice
Prediction of toxicity is very important in risk assessment. With the current paradigm shift towards utilization of in-vitro and in-silico systems we present herein a theoretical mathematical description of a quasi-diffusion process to predict chemical concentration in 3D spheroid cell cultures. By expanding a 2D Virtual Cell Based Assay (VCBA) model into a 3D spheroid cell model, we assumed that cells were arranged in a series of concentric layers within the sphere. Simplifying the spheroid with respect to number of cells in each layer, we formulate the process of chemical quasi-diffusion. The system was calibrated and tested using acetaminophen (APAP). Simulated predictions of the toxicity to APAP were validated with empirical data from in-vitro measurements using a 3D spheroid model. The results show that this first attempt of the VCBA model extension is promising. To this end the 3D VCBA model provides a complement to the current in-vitro procedures to refine experimental setups, to fill data gaps and help in interpretation of the in-vitro data for the purposes of risk assessment.
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