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 157 Matches

DEAQ

Model Files Publication

Brand Name(s) include: N/A

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

Related Files: Amodiaquine (parent drug)

The model at-a-glance

Absorption Model	N/A
Volume of Distribution	Minimal PBPK (Method 2)
Route of Elimination	CL_PO(non-specific) and renal clearance
Perpetrator DDI	CYP2D6
Validation	Simulations based on 1 clinical study describing multiple dose exposure of DHEA and 1 DDI study where formation of DHEA was the victim of a CYP2C9 mediated DDI were both within 1.5-fold of the observed values.
Limitations	Clinical data has not been used to verify DEAQ as a perpetrator of CYP2D6-mediated DDIs
Updates in V19	Updated DEAQ Ki for CYP2D6

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

Fostamatinib_RES_V21R1_Simcyp_20230615

Model Files Publication

Prepared: June 2023 The RES-Fostamatinib-R406_V21 model has been developed primarily as inhibitor of intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. Fostamatinib rapidly cleaved (hydrolyzed) to R406 (active moiety) in the gut by alkaline phosphatases. Thus, the Fit-for-purpose file with an in vivo CL/F is modelling the metabolite and not the parent. The verification was performed for 100-150 mg SD and BID. The Rosuvastatin DDI uses 100 mg BID. Example workspaces for the metabolite 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

Chlorzoxazone_RES_V20R1_Simcyp_20210512

Model Files Publication

The RES-Chlorzoxazone file was primarily developed as an inhibitor of CYP3A4. This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of Chlorzoxazone considered within the model.

Search Score: 1

Search the PBPK Model Repository

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DEAQ

The model at-a-glance

Lumefantrine

The model at-a-glance

Fostamatinib_RES_V21R1_Simcyp_20230615

Chlorzoxazone_RES_V20R1_Simcyp_20210512

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