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 126 Matches

Benzylpenicillin_RES_V20R1_Simcyp_20210512

Model Files Publication

The RES-Benzylpenicillin file was primarily developed as a substrate of renal OAT3 transport. This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of benzylpenicillin considered within the model.

Search Score: 1

Rosuvastatin_V17R1_ASTAR_20190724

Model Files Publication

The submitted compound file for Rosuvastatin uses ADAM, Full-PBPK method 2, enzyme kinetics for metabolism and transporter kinetics for the permeability limited liver model and MechKim model. Tissue : Plasma partition coefficients have been modified to include data obtained from rat distribution studies. It has been used together with the unmodified Sim-Healthy Volunteer library file. https://www.ncbi.nlm.nih.gov/pubmed/31079160

Search Score: 1

Acyclovir_MechKiM_V16R1_UniversityOfManchester_20210421

Model Files Publication

https://doi.org/10.1124/jpet.118.251413 Acyclovir compound file with MechKiM. The Acyclovir file was verified with IV data.

Search Score: 1

Dihydroartemisinin (DHA) from Artesunate

Model Files Publication

Brand Name(s) include: Camoquin (FDC with amodiaquine)

Disease: Malaria

Drug Class: Antimalarials

Related Drugs: DHA, Amodiaquine

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	One clinical study describing single dose exposure of DHA was used to verify the PBPK model. 100% of studies were within 2-fold, of which 100% were within 1.5-fold.
Limitations	The absorption model does not consider the formation of ‘DHA from artesunate’ mechanistically. Instead, an optimized ka and fa were applied to the DHA model to describe the observed plasma concentration-time curve of DHA. The remainder of the DHA model was identical to the DHA model which is described above. 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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Benzylpenicillin_RES_V20R1_Simcyp_20210512

Rosuvastatin_V17R1_ASTAR_20190724

Acyclovir_MechKiM_V16R1_UniversityOfManchester_20210421

Dihydroartemisinin (DHA) from Artesunate

The model at-a-glance

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