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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 68 Matches

Carboxyprimaquine

Model Files Publication

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

Related Files: Primaquine (parent)

The model at-a-glance

Absorption Model	N/A
Volume of Distribution	Full PBPK (Method 2)
Route of Elimination	Formed from primaquine by MAO. This is entered as ‘user-UGT’ as a surrogate within the simulator Pathway of elimination is not defined; elimination is assigned as IV clearance that was manually optimized to fit the clinical data
Perpetrator DDI	None
Validation	Six clinical studies describing single and multiple dose exposure of carboxyprimaquine were used to verify the PBPK model. The AUC for all verification studies were within 1.5-fold of the observed values.
Limitations	Clinical data for carboxyprimaquine is highly variable
Updates in V19	Converted from minimal PBPK model to full PBPK model

Search Score: 1

Piperaquine

Model Files Publication

Brand Name(s) include: Eurartesim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: January 2022

Related Files: DHA (partner in fixed dose combination)

The model at-a-glance

Absorption Model	First-Order (dose and food-dependent fa – saved in different models)
Volume of Distribution	Full PBPK (Method 2) Notes: Includes a Kp scalar and Kpadipose
Route of Elimination	CYP3A4 (80%), CYP2C9 (10%), CYP2C19 (10%)
Perpetrator DDI	CYP3A4 Inhibitor
Validation	Two clinical studies with fasted and fed groups at varying dose levels describing single and multiple dose exposure of piperaquine were used to verify the PBPK model. All of the simulated studies were within 1.5-fold of the observed values. A clinical DDI study where piperaquine was the victim of a CYP3A4-mediated DDI was accurately recovered using the PBPK model as well as a CYP3A4 perpetrator DDI with the sensitive substrate midazolam.
Limitations	Requires separate files for low and high dose due to dose-dependant fa Cmax overprediction, likely due to formulation differences Additional verification for DDIs would be ideal although studies are currently not available in literature
Updates in V19	Updated in vitrodata LogP Converted model to full PBPK with Vss predicted through Method 2

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

Fenebrutinib_RES_V21R1_Simcyp_20230615

Model Files Publication

Prepared: June 2023 The RES-Fenebrutinib_V21 model has been developed primarily as an inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. The RES-Fenebrutinib is verified as solution formulation for 100mg SD, 200mg SD, and 200mg BID. The Rosuvastatin DDI is using a 200 mg BID dosing for Fenebrutinib. Example workspaces for the Fenebrutinib PK and the DDI with Rosuvastatin are attached. The BCRP component of Rosuvastatin (V21 using the New GI physiology) was optimised using Eltrombopag and then verified with other BCRP-Inhibitors available on the members area or within the Simcyp Simulator, see attached ‘BCRP-Inhibitor V21’ document for details.

Search Score: 1

Search the PBPK Model Repository

Searching Tips

Carboxyprimaquine

The model at-a-glance

Piperaquine

The model at-a-glance

Tramadol_V14R1_JohnsonandJohnson_20151029

Fenebrutinib_RES_V21R1_Simcyp_20230615

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