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 130 Matches

Azithromycin
Model Files Publication

Brand Name(s) include: Zithromax

Disease: Malaria

Drug Class: Marcolide Antibiotic

Date Updated: March 2021

The model at-a-glance

  Absorption Model
  • First-Order

  Volume of Distribution

  • Full PBPK (Method 2)

Note: A Kp scalar (0.04) was used in the model

  Route of Elimination
  • No metabolism; a biliary CLint was input based on clinical data

  Perpetrator DDI
  • None

  Validation

  • Two clinical studies describing single and multiple dose exposure of atovaquone were used to verify the PBPK model. 100% of studies were within 1.5-fold.

  Limitations
  • There are some data to suggest atovaquone is an inhibitor of BCRP.  This is currently not included within the model.

  Updates in V19
  • Updated in vitro­ data
    • LogP: 5.8 -> 8.4
    • Caco-2 Papp > 300 x 10-6 cm/s
    • Propranolol Papp 101 x 10-6 cm/s
  • Optimized ka and tlag
  • Converted from minimal PBPK model to full PBPK model

 

Search Score: 11
Adefovir_V15R1_USFDA_20170810
Model Files Publication
http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Adefovir compound in healthy volunteers. Hsueh et al evaluating the effect of renal impairment on PK of OAT substrates. 30/07/2019: The Adefovir PBPK model was submitted with the setting as Hepatocyte Clearance input in the WOMC option. To allow DDI simulations the file should be set up in the Enzyme Kinetics option by moving the Hepatocyte clearance value into the Additional Clearance (Liver) subtab under the Enzyme Kinetics section.
Search Score: 11
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: 11
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: 11

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