Quickly find freely available drug and population models in our PBPK model repository.
The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.
You can use a suffix operator (*) as the placeholder for end of a term. The query must start with at least one alphanumeric character before the suffix operator. E.g., Rifam* will get you “Rifampicin” and “Rifampin”. For more advanced searching tips click here.
Brand Name(s) include: Qualaquin
Disease: Malaria
Drug Class: Antimalarials
Date Updated: 2021
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Absorption Model |
First-Order |
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Volume of Distribution |
Minimal PBPK (Method 1) |
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Route of Elimination |
CYP3A4 (fm = 0.50); renal clearance (fe = 0.1) |
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Perpetrator DDI |
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Validation |
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Limitations |
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Updates in V19 |
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Simcyp developed propofol compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in the summary document.
This model is a Crohn's disease (CD) population model for adult patients, created in Simcyp version 19. Alteration of GIT parameters and other physiological parameters like albumin level incorporated based on literature available data of inactive state of CD. The demographic and formulation information are based on the published in vivo pharmacokinetics data of midazolam and budesonide in CD patients. The model details and results are published in 2022 DOI: 10.1007/s40262-022-01169-4
The Bosutinib model uses a full PBPK distribution model (Method 2) and ADAM, where intestinal P-gp is accounted for (Km=0.38 uM, Jmax = 15.45 pmol/min/cm2, RAF = 4). The elimination is described via HLM clearance and assigned to CYP3A4, and a user defined renal clearance. An Immediate Release formulation is simulated with a user-defined solubility-pH profile. The performance of the file is described in Yamazaki et al., 2018 (Application of Physiologically Based Pharmacokinetic Modeling in Understanding Bosutinib Drug-Drug Interactions: Importance of Intestinal P-Glycoprotein - PubMed (nih.gov). In a follow-up paper using V18R2, the inputs for intestinal P-gp were updated (Km = 0.58 uM, Jmax = 67.4 pmol/min/cm2, REF = 1) based on Caco-2 data analysed in SIVA (Pan et al., 2021, Unraveling pleiotropic effects of rifampicin by using physiologically based pharmacokinetic modeling: Assessing the induction magnitude of P-glycoprotein-cytochrome P450 3A4 dual substrates - PubMed (nih.gov)).
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