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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.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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Found 49 Matches

Ganciclovir_V15R1_USFDA_20170810

Model Files Publication

http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Ganciclovir compound file in healthy volunteers. Evaluation of the effect of renal impairment on the PK of OAT substrates. NOTE: Kp scaler in model should be 0.33, different from Table 1.

Search Score: 2

Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005

Model Files Publication

The submitted workspace file is for Morphine and Morphine-3-glucuronide compound files, with a full PBPK distribution model, ADAM and permeability-limited liver. The model also includes enterohepatic recycling and cleavage of the glucuronide in the gut lumen. The Sim-Healthy Volunteers population library was modified with regards to the relative enzyme abundance of luminal deglucuronidation. The setting in the workspace reflects the trial design from Stuart-Harris et al., 2000. Stuart-Harris R, Joel SP, McDonald P, Currow D, Slevin ML. The pharmacokinetics of morphine and morphine glucuronide metabolites after subcutaneous bolus injection and subcutaneous infusion of morphine. Br J Clin Pharmacol 49 207-214. (2000)

Search Score: 2

Quinine

Model Files Publication

Brand Name(s) include: Qualaquin

Disease: Malaria

Drug Class: Antimalarials

Date Updated: 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Minimal PBPK (Method 1)
Route of Elimination	CYP3A4 (fm = 0.50); renal clearance (fe = 0.1)
Perpetrator DDI	CYP2D6 Inhibitor
Validation	Three clinical studies describing Quinine PK were identified for model verification. Three clinical DDI studies where quinine was the victim of CYP-mediated DDIs were used to verify the PBPK model. All studies were well recovered with simulated Cmax and AUC GMRs within 1.5-fold of the observed
Limitations	The Simcyp quinine PBPK model was able to recover interactions CYP3A inducers and inhibitors with reasonable accuracy. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time.
Updates in V19	Updated in vitrodata fup: 0.199 -> 0.37 Caco-2 A -> B Permeability: 70 x 10-6 cm/s -> 39 x 10-6 cm/s Propranolol reference Permeability: 101 x 10-6 cm/s -> 45 x 10-6 cm/s Minimal PBPK with Vss predicted through Method 1 Updated retrograde clearance

Search Score: 1

Pyrimethamine

Model Files Publication

Brand Name(s) include: Daraprim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

Model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: Kp scalar used
Route of Elimination	Non-specific hepatic metabolism (metabolizing enzymes not known)
Perpetrator DDI	OCT1 and OCT2 inhibitor
Validation	Three clinical studies were available for model verification. 100% of simulated Cmax and AUC were within 1.5-fold of observed and hence the model performance was deemed acceptable.
Limitations	The current model does not describe enzyme specific metabolism of pyrimethamine as there are no data for specific routes of metabolism. The current model does not mechanistically describe the absorption of pyrimethamine as the ADAM model over-predicts the extent of absorption. Although pyrimethamine is described as well absorbed in some literature, further analysis of the IV and PO data did not support this.
Updates in V19	Updated in vitrodata fup: 0.085 -> 0.095

Search Score: 1

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Ganciclovir_V15R1_USFDA_20170810

Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005

Quinine

The model at-a-glance

Pyrimethamine

Model at-a-glance

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