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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.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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Found 107 Matches

Lopinavir&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 The compound file is the final model used for simulations in combination with ritonavir (submitted to repository referencing the same article). Correction: Ritonavir's pKa 2 should be 2.6, reported in Supp. Table 1 was 2.8 https://accp1.onlinelibrary.wiley.com/doi/full/10.1002/jcph.936

Search Score: 2

Rilpivirine

Model Files Publication

Brand Name: Edurant, Rekambys

Disease: HIV

Drug Class: non-nucleoside reverse transcriptase inhibitor

Version: 21

Date Updated: March 2024

The model at-a-glance

Absorption Model	First order
Volume of Distribution Details	Full PBPK (Method 3)
Route of Elimination	CYP3A4 = 63.2%; Additional HLM = 36.8%
Perpetrator DDI	CYP3A4 Inhibition CYP3A4 Induction
Validation	The refined model was able to recover clinically observed concentration-time profiles of rilpivirine following single and multiple dosing. Seven clinical DDI studies where rilpivirine was administered with either efavirenz, ketoconazole, rifampin, or rifabutin were used to verify the PBPK model of rilpivirine as a victim. In comparison of predicted vs. observed AUC, 85.7% of the studies were within 1.5-fold. Three clinical DDI studies where rilpivirine was administered with either sildenafil, ethinylestradiol, or midazolam were used to verify the PBPK model of rilpivirine as a perpetrator. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.25-fold.
Limitations	The net in vivo effect of rilpivirine as either an inhibitor or an inducer of CYP3A appears to be negligible based on the available DDI studies

Search Score: 2

Remdesivir&Metabolites_V18R1_Gilead_20210204

Model Files Publication

Remdesivir (GS-5734) and metabolites adult compound files Adult and pediatric (<40kg and >40kg) workspace files

Search Score: 2

V19 Res Boosted Atazanavir April 2021

Model Files Publication

V19 Res Boosted Atazanavir April 2021

Search Score: 2

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Lopinavir&Ritonavir_V13R2_USFDA_20190719

Rilpivirine

The model at-a-glance

Remdesivir&Metabolites_V18R1_Gilead_20210204

V19 Res Boosted Atazanavir April 2021

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