Abstract
We revisit and improve in silico modeling and simulation approach of the apoptosis caspases pathways, initially developed for exploring and discovering the complex interaction patterns of apoptotic caspases and the mitochondrial role. Symbolic abstractions and algorithms of the in silico model were improved to allow dealing with crucial aspects of the cellular signal transduction such as cellular processes. Also, the particular model of extrinsic and intrinsic apoptotic signaling pathways was improved, increasing the number of reactions and using all kinetic parameters accurately calculated. Using the computational simulation tool BTSSOC-Cellulat, we were able to determine experimentally how the modulation of concentrations of proteins XIAP, cFLIPs and TRAIL/FASL, can cause the death of cancerous cells. Our results show how crucial were the improvements made in the in silico modeling approach, which in turn were reflected in the accuracy of the simulation and, therefore, in the significant value of the in silico experiments carried out.
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González-Pérez, P.P., Cárdenas-García, M. (2019). In Silico Modeling and Simulation Approach for Apoptosis Caspase Pathways. In: Fdez-Riverola, F., Mohamad, M., Rocha, M., De Paz, J., González, P. (eds) Practical Applications of Computational Biology and Bioinformatics, 12th International Conference. PACBB2018 2018. Advances in Intelligent Systems and Computing, vol 803. Springer, Cham. https://doi.org/10.1007/978-3-319-98702-6_3
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