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 123 Matches

Dasabuvir_RES_V21R1_Simcyp_20220309

The V21 RES-Dasabuvir model has been developed as a substrate of CYP2C8 and CYP3A4. Compound file and performance summary are available.

Docetaxel_RES_V17R1_Simcyp_20180228

Simcyp developed Docetaxel compound file. Compound summary document included. This was developed as a research file and its current status and limitations are outlined in summary document.

Dolutegravir_RES_V23R1_Simcyp_20240404

Simcyp developed dolutegravir compound file. Compound summary including an outline on the current status and limitations included.

The RES-Dolutegravir model has been developed primarily as a UGT1A1 and CYP3A4 substrate, and as an inhibitor of renal MATE1 and OCT2 transporters. MATE1 and OCT2 inhibition parameters have been optimized to capture impact of dolutegravir on metformin pharmacokinetics but have not been independently verified. In vitro observed inhibition of MATE2-K by dolutegravir has not been included as the parameter could not be optimized and verified with the substrate models and clinical data available at the time of dolutegravir model development.

Rilpivirine

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

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