A Liver-Centric Multiscale Modeling Framework for Xenobiotics
Whole body uptake, distribution and clearance (1a) is represented as a PBPK model (1b) in SBML. The rectangular compartments represent tissues or blood compartments with blood flows between compartments indicated by black arrows. The compartment labeled “Rest” is the remainder of the body. The blue arrows and ovals represent non-blood borne transfer between compartments and organ lumens or, in the case of liver metabolism, an unspecified location external to the PBPK model. The tissue scale model of the liver (2a) is represented in CC3D as a single sinusoid modeled as a linear pipe lined with hepatocytes (green) (2b). Blood flow within the sinusoid consists of RBCs (red) and portions of serum (blue). Portions of serum are modeled as generalized cells. The hepatocyte (3a) metabolic pathways (3b) are model as a set of chemical reactions expressed in SBML.