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 65 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

Mefloquine

Model Files Publication

Brand Name(s) include: Lariam, Mephaquin, Mefliam

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Route of Elimination	CYP3A4 (fm =100); renal clearance (fe = 0.05)
Perpetrator DDI	CYP2C9 Inhibitor CYP2D6 Inhibitor CYP3A4 Inhibitor
Validation	Six clinical studies describing single and multiple dose exposure of mefloquine were used the verify the PBPK model. Most of the studies (83%) were within 1.5-fold, with all simulations falling within 2-fold of the observed values. Two clinical DDI studies where mefloquine was the victim of a CYP3A4-mediated DDI were accurately recovered using the PBPK model.
Limitations	Only profiles of plasma concentrations assessed, many studies report blood concentrations Mefloquine has significant uptake into erythrocytes and haematocrit levels typically not reported Could be important in disease population (Possible time-varying B/P for Malaria patients?) Cmax for doses > 750 mg over predicted fa possibly decreases with dose, more data needed to fully determine the cause Most literature data extracted from graphs of mean data, difficulty determining accurate early time points due to poor image quality Verification needed for perpetrator DDI assessment as literature data is unavailable at this time
Updates in V19	Updated in vitrodata fu_p: 0.016 -> 0.015 B:P ratio 1.7 -> 1.1 and subsequent re-calculation of CLint using the retrograde approach Converted model to full PBPK distribution model with Vss predicted through Method 2 Sensitivity analysis of ka

Search Score: 1

Bergamottin_V19R1_AstraZeneca_20210423

Model Files Publication

CYP inhibitor found in grapefruit juice. AstraZeneca file.

Search Score: 1

Esomeprazole_V14R1_USFDA_20160711

Model Files Publication

Note: This compound file is for esomeprazole solution, not for delayed release esomeprazole formulations 2. V12R1 compound file built to simulate adult PK. Supplied file is a V14R1 file that has been tested to generate identical results under the condition of mutual interaction with R-omeprazole (Condition 2 in Table II in our publication).

Search Score: 1

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DEAQ

The model at-a-glance

Mefloquine

The model at-a-glance

Bergamottin_V19R1_AstraZeneca_20210423

Esomeprazole_V14R1_USFDA_20160711

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