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.

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Found 117 Matches

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 vitro protein and blood binding data and subsequent back calculation of CLint (retrograde approach)
    •  fu: 0.19 -> 0.26
    • B:P: 1 -> 0.82
  • Converted from minimal PBPK model to full PBPK model

 

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
Cholesterol_4beta-hydroxycholesterol_RES_V23_Simcyp_20240930
Model Files Publication

The 4β-hydroxycholesterol (4β-OHC) file is an endogenous biomarker for CYP3A activity mainly measured to evaluated potential CYP3A induction in vivo. The 4β-OHC file was developed as a primary metabolite of the parent compound, cholesterol. As the compound requires specific system parameter inputs for endogenous CYP abundance scaling, the parent-metabolite file is available within a workspace containing the required system parameters. The parent-metabolite file has been developed in the Simcyp Simulator V23 and details of the file performance are described in Karkhanis et al., 2024 (PMID 39458613) and in a compound summary that provides the key pharmacokinetic features of cholesterol and 4β-OHC considered within the model.

Search Score: 1
Famotidine_V15R1_USFDA_20170810
Model Files Publication
http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Famotidine compound file in healthy volunteers. Evaluation of the effect of renal impairment on the PK of OAT substrates. NOTE: MW is slightly different between model file and Table 1.
Search Score: 1

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