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Abstract
Note: at the start of simulation sub-windows will be generated. You can re-scale the tool area by dragging on the lower right (it'll show two numbers like so "123x456"), and you can make CompuCell3D fit all sub-windows by going to the menu Window -> Tile
This tool is an extension of work done in [1], which can be run as a nanoHub tool in [2]. It implements a two drug treatments, one by a inhibitor of viral entry, one by a inhibitor of viral replication. Both drugs follow a simple pharmacokinetic model,
Ingestion of prodrug -> active metabolite -> waste
Ingestion happens at a set period (changeable by the user). The compound ingested by the simulated patient is not the active component, it needs to be metabolized first to act. The rates of metabolization and excretion of the prodrugs and metabolites are also controllable by the user. The user also sets which treatments are active.
1.
Sego TJ, Aponte-Serrano JO, Gianlupi JF, Heaps SR, Breithaupt K, Brusch L, et al. A modular framework for multiscale, multicellular, spatiotemporal modeling of acute primary viral infection and immune response in epithelial tissues and its application to drug therapy timing and effectiveness. PLOS Computational Biology. 2020;16: e1008451. doi:10.1371/journal.pcbi.1008451
2. https://nanohub.org/tools/cc3dcovid19
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