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 127 Matches

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

Capmatinib_RES_V21R1_Simcyp_20230615

Model Files Publication

The RES-Capmatinib_V21 model has been developed primarily as an inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default for V22. The verification for 200mg SD, 400mg SD, 600mg SD is performed in the Sim-Healthy Volunteer population and for the 400 mg BID in the Sim-Cancer population. A multiple plasma protein approach is used, accounting for HSA, AGP, IgG and lipoprotein inputs for the populations. The metabolism is simulated using Cytosolic Oxidases (rhAO) and CYP3A4. The Rosuvastatin DDI is using a 400mg BID dosing for Capmatinib in the fasted state.

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

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Aprepitant_RES_V19R1_Simcyp_20200205

Dasabuvir_RES_V21R1_Simcyp_20220309

Capmatinib_RES_V21R1_Simcyp_20230615

Dihydroartemisinin (DHA)

The model at-a-glance

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