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An overview of drug distribution within Simcyp is given below. This section also highlights:
Simcyp allows the prediction of drug distribution characteristics at several levels:
- Prediction of Vss from drug lipophilicity and plasma protein binding data.
- Prediction of drug concentration-time profiles in blood and tissues based on a full (14 organ) physiologically-based pharmacokinetic (PBPK) model (Figure 3).
Figure 3. Whole body PBPK model.
The information contained within the Simcyp Simulator's databases (validated estimates of tissue volumes and organ blood flow rates in males and females, and in children) allows you to estimate variability in the volume of distribution of a compound in a population.
At the request of the Consortium, Simcyp has recently expanded its minimal PBPK distribution model, to allow for a single-adjusting compartment (SAC), and its full PBPK model, to allow users to select and replace a perfusion-limited organ with a permeability-limited organ and/or to define an additional organ (which can be permeability- or perfusion-limited).