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.

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

Searching Tips

You can use a * character as a wildcard at the end of a alphanumeric search term. The search term must start with at least one character before the wildcard. E.g., Rifam* will get you “Rifampicin” and “Rifampin”.
You can also use a * character as a wildcard in the middle of a alphanumeric search term. The search term must still start with at least one character before the wildcard. E.g., Rif*in will also get you “Rifampicin” and “Rifampin” .
You can also use a * character as a wildcard at the start of a alphanumeric search term. However you must use forward slashes to delimit the search term and use a point before the wildcard. E.g., /.*picin/ will only get you “Rifampicin”.

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

Found 65 Matches

Nevirapine

Model Files Publication

Brand Name: Viramune

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 2)
Route of Elimination	CYP2B6 = 35%; CYP2D6 = 12%; CYP3A4 = 45%; Additional HLM = 5%; Renal Clearance 3% at steady state
Perpetrator DDI	CYP2B6 Induction CYP3A4 Induction
Validation	The refined model was able to recover clinically observed concentration-time profiles of nevirapine following single and multiple dosing. Four clinical DDI studies where nevirapine was administered with either fluconazole, rifampin, or itraconazole were used to verify the PBPK model of nevirapine as a victim. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.25-fold. Two clinical DDI studies where nevirapine was administered with either itraconazole or quinidine were used to verify the PBPK model of nevirapine as a perpetrator. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.5-fold.
Limitations	There are no DDI studies where nevirapine was given as a single dose and so it is not possible to verify fm of CYP2B6 and CYP3A4 for a single dose. There is no independent DDI study to verify induction of CYP2B6.

Search Score: 1

Dabigatran&DabigatranEtexilate_V17R1_UniversityOfTsukuba_20190204

Model Files Publication

Dabigatran etexilate and dabigatran compound files. Assessment of potential DDIs with P-gp inhibitors in renal impairment populations. https://www.ncbi.nlm.nih.gov/pubmed/30659778 https://doi.org/10.1002/psp4.12382

Search Score: 1

DasabuvirRitonavirClopidogrelGlucuronide_V14R1_AbbVie_20200214

Model Files Publication

Workspace combines model files for Dasabuvir, Ritonavir, Clopidogrel and its glucuronide metabolite as published in Shebley et al., CPT, 2017 Note: The file was developed in V4R1, however the workspace cannot be open in V14R1 or V15R1, as it was last saved in V16. Therefore the fill can be opened only in Simcyp Simulator V16 and later.

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

Search the PBPK Model Repository

Searching Tips

Nevirapine

The model at-a-glance

Dabigatran&DabigatranEtexilate_V17R1_UniversityOfTsukuba_20190204

DasabuvirRitonavirClopidogrelGlucuronide_V14R1_AbbVie_20200214

Lumefantrine

The model at-a-glance

Your Privacy