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 127 Matches

Esomeprazole_V14R1_USFDA_20160711
Model Files Publication
Note: This compound file is for esomeprazole solution, not for delayed release esomeprazole formulations 2. V12R1 compound file built to simulate adult PK. Supplied file is a V14R1 file that has been tested to generate identical results under the condition of mutual interaction with R-omeprazole (Condition 2 in Table II in our publication).
Search Score: 1
Tramadol_V14R1_JohnsonandJohnson_20151029
Model Files Publication
V12 R1 compound file built to simulate adult Human PK and pediatric PK. Supplied file is for V14 R1. “Physiology-Based IVIVE Predictions of Tramadol from in Vitro Metabolism Data” in Pharm Res January 2015, Volume 32, Issue 1, pp 260-274 http://link.springer.com/article/10.1007%2Fs11095-014-1460-x “Physiologically Based Pharmacokinetic Predictions of Tramadol Exposure Throughout Pediatric Life: an Analysis of the Different Clearance Contributors with Emphasis on CYP2D6 Maturation.” in AAPSJ November 2015, Volume 17, Issue 6, pp 1376-1387 http://link.springer.com/article/10.1208%2Fs12248-015-9803-z
Search Score: 1
DEAQ
Model Files Publication

Brand Name(s) include: N/A

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

Related Files: Amodiaquine (parent drug)

The model at-a-glance

  Absorption Model
  • N/A

  Volume of Distribution

  • Minimal PBPK (Method 2)

  Route of Elimination
  • CLPO (non-specific) and renal clearance

  Perpetrator DDI
  • CYP2D6

  Validation

  • Simulations based on 1 clinical study describing multiple dose exposure of DHEA and 1 DDI study where formation of DHEA was the victim of a CYP2C9 mediated DDI were both within 1.5-fold of the observed values.

  Limitations
  • Clinical data has not been used to verify DEAQ as a perpetrator of CYP2D6-mediated DDIs

  Updates in V19
  • Updated DEAQ Ki for CYP2D6

 

Search Score: 1
Lumefantrine
Model Files Publication

Brand Name(s) include: Coartem (artemether, lumefantrine), Riamet (artemether, lumefantrine)

Disease: Malaria

Drug Class: Antimalarials

Related Files: Artemether – drug partner in fixed dose combinations

Date Updated: December 2022

The model at-a-glance

 Absorption Model
  • First-Order

 Volume of Distribution Details
  • Full PBPK (Method 2)

Note: Kp scalar and Kp adipose used

 Route of Elimination

CYP3A4 (40%); non-specific hepatic metabolism (60%)

 Perpetrator DDI
  • CYP2D6 Inhibitor

 Validation

  • Two clinical studies describing single dose exposure and two describing multiple dose exposure of lumefantrine were used to verify the PBPK model.
    • The single dose exposures were within 2-fold of observed for both studies.
    • The multiple dose exposures were within 1.25-fold of observed for both studies.
  • Clinical DDI studies with rifampicin and efavirenz in healthy volunteers where lumefantrine was the victim of CYP3A4-mediated DDIs were over-predicted (>2-fold) using the PBPK model.
  • An alternative clinical efavirenz DDI study in HIV patients and a clinical DDI with ritonavir in healthy volunteers were well predicted (within 1.25-fold of observed). As the effect of CYP3A4 inhibition was independently verified and there appeared to be variability in the extent of induction on lumefantrine PK, the fmCYP3A4 of 40% was considered verified.

 Limitations
  • Plasma concentrations of lumefantrine following a single dose are less accurately predicted than those following multiple dose administration. As the Day 7 plasma concentrations following repeat administration of lumefantrine, are more critical (linked to cure rates) than after the first dose, this was deemed acceptable.
  • The model can be used to prospectively predict CYP2D6-mediated DDIs but in the absence of verification of CYP2D6 inhibition, this should be accompanied by appropriate sensitivity analysis.​

 Updates in V19
  • Updates in vitro data based on new information
    • B:P ratio 0.6 -> 0.55
    • CYP2D6 Ki (µM) 2.2 -> 1.8

 

Search Score: 1

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