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 148 Matches

Darunavir&Ritonavir_V13R2_USFDA_20190719
Model Files Publication
Compound files from publication: Physiologically Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Coadministered With Ritonavir Wagner, C., Zhao, P., Arya, V., Mullick, C., Struble, K. and Au, S (2017). https://doi.org/10.1002/jcph.936 /PMID: 28569994 These two files were used in combination (linked models). Note: Darunavir model also has fu,mic for DDI, and induction parameters for CYP1A that were not captured in Supplemental Table 1. Correction: Ritonavir's pKa2 should be 2.6 instead of 2.8 in Suppl. Table 1. https://accp1.onlinelibrary.wiley.com/doi/full/10.1002/jcph.936
Search Score: 1
R-Omeprazole_V12R2_USFDA_20160714
Model Files Publication
Note: 1. fup was reported as 0.04 in our publication (http://www.ncbi.nlm.nih.gov/pubmed/24590877) without changing the cmp file (fup=0.043). 2. The compound file was developed for R-omeprazole solution 3. We also have converted V14R1 file that has been tested to generate identical results under the condition of mutual interaction with esomeprazole (Condition 2 in Table II in our publication).
Search Score: 1
Cycloguanil
Model Files Publication

Brand Name(s) include: N/A

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

Related drugs: Proguanil

The model at-a-glance

  Absorption Model

First-Order

  Volume of Distribution

Full PBPK (Method 2)

  Route of Elimination

Formed by CYP2C19, CYP3A4; unknown clearance mechanism

  Perpetrator DDI
  • CYP2D6 Inhibitor

  Validation

  • Proguanil and cycloguanil files were built using in vitro and clinical (Jeppersen et al., 1997) data
  • 5 clinical studies describing single and multiple dose exposure of cycloguanil were used to verify the PBPK model. 60% of studies were within 2-fold, of which 40% were within 1.5-fold.
  • A clinical DDI study where proguanil was the victim of a CYP2C19-mediated DDI was accurately recovered using the PBPK model.  

  Limitations
  • Prediction of cycloguanil exposure was complicated by not knowing the polymorphism classification of subjects in each study, hence the model performance was deemed acceptable using the criteria of being within 2-fold of observed.
  • Verification needed for perpetrator DDI assessment as literature data is unavailable at this time

  Updates in V19
  • Recalculated fm values using the corrected dose administered in Jeppesen et al., 1997
  • Previous version used paper calculation of total clearance which did not account for the weight of the salt in the 200 mg dose administered
  • Model converted from minimal to full PBPK distribution model
  • Updated in vitro data
  • Updated CYP2D6 IC50

 

Search Score: 1
Ranitidine_RES_V18R1_Simcyp_20190311
Model Files Publication

Simcyp developed ranitidine 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: 1

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