Search the PBPK Model Repository

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 110 Matches

Zepatier_V19R1_Pfizer_20210804

Model Files Publication

An optimized Rosuvastatin (V19) model was used and DDIs predominantly driven by gut BCRP inhibition are reasonably recovered. Altogether, the following inhibitors were used: Capmatinib Fenebrutinib Fostamatinib Itraconazole Zepatier The workspace represents the DDI between Rosuvastatin and Zepatier. Zepatier is an antiviral medicine that contains the active substances elbasvir and grazoprevir. The two compounds were simulated as Inhibitor 1 and Inhibitor 2, respectively. Link to the publication with further details: http://doi.org/10.1002/psp4.12672

Search Score: 1

Pitavastatin_RES_V20R1_Simcyp_20211102

Model Files Publication

The RES-Pitavastatin file was developed as a CYP2C9, UGT1A3/2B7, OATP1B1/1B3/2B1, NTCP substrate This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of pitavastatin considered within the model.

Search Score: 1

Primaquine

Model Files Publication

Brand Name(s) include: Jasoprim, Malirid, Neo-Quipenyl, Pimaquin, Pmq, Primachina, Primacin, Primaquina, Primaquine, Primaquine diphosphate, Primaquine Phosphate, and Remaquin

Disease: Malaria, Plasmodium vivax, Plasmodium ovale

Drug Class: Antimalarial

Related Files: Carboxyprimaquine (metabolite)

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Routes of Elimination	89% MAO (entered using ‘user-UGT’ as a surrogate in the Simulator), 11% CYP2D6
Perpetrator DDI	CYP1A2 Inhibitor (in vitro)
Validation	6 studies with single (15 to 45 mg) and multiple (15 mg QD) dosing. 100% of Cmax and AUC values within 1.5-fold. No clinical DDI studies to verify contribution of metabolic routes
Limitations	The active metabolites of primaquine have not characterized due to their instability. Therefore, a PBPK model for active metabolites cannot be developed in their own right. Qualitative data suggests a role of P-gp, however, Jmax and Km values have not been measured. There is evidence of enantiomer specific metabolism for primaquine which has not been considered in the current model.
Updates in Version 19	Updated in vitroprotein and blood binding data and subsequent back calculation of CLint (retrograde approach) f_u: 0.19 -> 0.26 B:P: 1 -> 0.82 Converted from minimal PBPK model to full PBPK model

Search Score: 1

DasabuvirRitonavirClopidogrelGlucuronide_V14R1_AbbVie_20200214

Model Files Publication

Workspace combines model files for Dasabuvir, Ritonavir, Clopidogrel and its glucuronide metabolite as published in Shebley et al., CPT, 2017 Note: The file was developed in V4R1, however the workspace cannot be open in V14R1 or V15R1, as it was last saved in V16. Therefore the fill can be opened only in Simcyp Simulator V16 and later.

Search Score: 1

Search the PBPK Model Repository

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Zepatier_V19R1_Pfizer_20210804

Pitavastatin_RES_V20R1_Simcyp_20211102

Primaquine

The model at-a-glance

DasabuvirRitonavirClopidogrelGlucuronide_V14R1_AbbVie_20200214

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