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

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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”.

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Found 117 Matches

V18 released Simcyp files for antiretroviral drugs

Model Files Publication

V18 released Simcyp files for antiretroviral drugs

Search Score: 2

Dolutegravir_RES_V23R1_Simcyp_20240404

Model Files Publication

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.

Search Score: 2

Dihydroartemisinin (DHA) from Artesunate

Model Files Publication

Brand Name(s) include: Camoquin (FDC with amodiaquine)

Disease: Malaria

Drug Class: Antimalarials

Related Drugs: DHA, Amodiaquine

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: Kp scalar used
Route of Elimination	UGT1A9 (50%); UGT2B7(50%)
Perpetrator DDI	CYP1A2 Inhibitor
Validation	One clinical study describing single dose exposure of DHA was used to verify the PBPK model. 100% of studies were within 2-fold, of which 100% were within 1.5-fold.
Limitations	The absorption model does not consider the formation of ‘DHA from artesunate’ mechanistically. Instead, an optimized ka and fa were applied to the DHA model to describe the observed plasma concentration-time curve of DHA. The remainder of the DHA model was identical to the DHA model which is described above. The model does not account for the differences in plasma fraction unbound observed in patients compared to healthy volunteers. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time.
Updates in V19	Updated in vitro data Propranolol Papp: 30 cm/s x 106 Converted model to full PBPK with Vss predicted through Method 2 Updated retrograde clearance

Search Score: 2

Doxycycline

Model Files Publication

Brand Name(s) include: Adoxa, Doryx, Monodox, Oracea, Periostat, Vibramycin, Vibra-tabs

Disease: Malaria

Drug Class: Antibiotic

Date Updated: June 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.3) was used in the model
Route of Elimination	Biliary = 66%; Renal= 44%
Perpetrator DDI	None
Validation	Seven clinical studies describing single and multiple dose exposure of doxycycline were used to verify the PBPK model. The model predicted AUC values in 86% of studies within 2-fold (100% if one simulated/observed ratio is rounded down from 1.52 to 1.5), of which 57% were within 1.5-fold.
Limitations	Model is not verified at doses below 100 mg or about 200 mg (dose-linearity of doxycycline is uncertain) Model assumes hyclate, monohydrate and hydrochloride formulations are bioequivalent Model is not developed for the prediction of IV doxycycline Model was developed and verified primarily in healthy volunteer studies (except Newton et al. 2005); appropriateness of extrapolation to acute malaria patients is unknown
Updates in V19	Updated in vitrodata fu: 0.142 -> 0.23 B:P: 1.5 -> 0.78 Converted from minimal PBPK model to full PBPK model Elimination changed from user input IV clearance to retrograde clearance with biliary clearance and additional hepatic clearance

Search Score: 2

Search the PBPK Model Repository

Searching Tips

V18 released Simcyp files for antiretroviral drugs

Dolutegravir_RES_V23R1_Simcyp_20240404

Dihydroartemisinin (DHA) from Artesunate

The model at-a-glance

Doxycycline

The model at-a-glance

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