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 109 Matches

Rofecoxib_V18R1_LongIslandUniversity_20210119

Model Files Publication

This is a compound file for rofecoxib - a mechanism based inhibitor of CYP1A2. The input values for the Rofecoxib PBPK model are listed in table 2 of the publication. The file uses a User input for fa and ka with a CV of 30% for each, a predicted fugut of 0.066 and a predicted Qgut of 16.271 L/h. Competitive CYP1A2 Inhibition with a Ki of 2.25 µM and fumic of 0.88 is also included in the file.

Search Score: 1

Aprepitant_RES_V19R1_Simcyp_20200205

Model Files Publication

Simcyp developed Aprepitant compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in summary document.

Search Score: 1

Dasabuvir_RES_V21R1_Simcyp_20220309

Model Files Publication

The V21 RES-Dasabuvir model has been developed as a substrate of CYP2C8 and CYP3A4. Compound file and performance summary are available.

Search Score: 1

Dihydroartemisinin (DHA)

Model Files Publication

Brand Name(s) include: D-Artepp, Artekin, Diphos, TimeQuin, Eurartesim, Duocotecxin

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: Kp scalar used
Route of Elimination	UGT1A9 (50%); UGT2B7(50%)
Perpetrator DDI	CYP1A2 Inhibitor
Validation	Four clinical studies describing single dose exposure of DHA were used to verify the PBPK model. 100% of studies were within 2-fold, of which 75% were within 1.5-fold. Thus, the model performance was deemed acceptable.
Limitations	The model does not account for the differences in plasma fraction unbound observed in patients compared to healthy volunteers. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time.
Updates in V19	Updated in vitro data Propranolol Papp: 30 cm/s x 106 Converted model to full PBPK with Vss predicted through Method 2 Updated retrograde clearance

Search Score: 1

Search the PBPK Model Repository

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Rofecoxib_V18R1_LongIslandUniversity_20210119

Aprepitant_RES_V19R1_Simcyp_20200205

Dasabuvir_RES_V21R1_Simcyp_20220309

Dihydroartemisinin (DHA)

The model at-a-glance

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