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 111 Matches

Maraviroc&Telaprevir&VRT_127394_V15R1_Pfizer_20200405
Model Files Publication
http://dmd.aspetjournals.org/content/47/5/493.long Maraviroc and Telaprevir/healthy volunteer. The workspace is set up as multiple dose over 10 days to account for the MBI of Telaprevir. The metabolite of Telaprevir (VRT-127394) is included in the workspace.
Search Score: 11
MefenamicAcid_Dapagliflozin_V15R1_Pfizer_20220726
Model Files Publication
Mefenamic acid and dapagliflozin/healthy volunteer. This workspace simulates the UGT mediated DDI after multiple dose administration of UGT inhibitor mefenamic acid. The workspace shows Dapaglifazin as substrate of UGTA9 and UGT2B7. Mefenamic Acid is used in the inhibitor position and Ki values against UGT1A9 and UGT2B7 are included in the workspace.
Search Score: 11
Mefloquine
Model Files Publication

Brand Name(s) include: Lariam, Mephaquin, Mefliam

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

The model at-a-glance

  Absorption Model

First-Order

  Volume of Distribution

Full PBPK (Method 2)

  Route of Elimination

CYP3A4 (fm =100); renal clearance (fe = 0.05)

  Perpetrator DDI
  • CYP2C9 Inhibitor
  • CYP2D6 Inhibitor
  • CYP3A4 Inhibitor

  Validation

  • Six clinical studies describing single and multiple dose exposure of mefloquine were used the verify the PBPK model.  Most of the studies (83%) were within 1.5-fold, with all simulations falling within 2-fold of the observed values. 
  • Two clinical DDI studies where mefloquine was the victim of a CYP3A4-mediated DDI were accurately recovered using the PBPK model.

  Limitations
  • Only profiles of plasma concentrations assessed, many studies report blood concentrations​
  • Mefloquine has significant uptake into erythrocytes and haematocrit levels typically not reported​
  • Could be important in disease population (Possible time-varying B/P for Malaria patients?)​
  • Cmax for doses > 750 mg over predicted ​
  • fa possibly decreases with dose, more data needed to fully determine the cause​
  • Most literature data extracted from graphs of mean data, difficulty determining accurate early time points due to poor image quality​
  • Verification needed for perpetrator DDI assessment as literature data is unavailable at this time

  Updates in V19
  • Updated in vitro­ data
    • fup: 0.016 -> 0.015
    • B:P ratio 1.7 -> 1.1 and subsequent re-calculation of CLint using the retrograde approach
  • Converted model to full PBPK distribution model with Vss predicted through Method 2
  • Sensitivity analysis of ka

 

Search Score: 11
Methotrexate_RES_V17R1_Simcyp_20180228
Model Files Publication

Simcyp developed Methotrexate 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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