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 99 Matches

Clopidogrel_RES_V21R1_Simcyp_20220720

Model Files Publication

The V21 RES-Clopidogrel model has been developed as an inhibitor of CYP2C8, CYP3A4 and OATP1B1. Compound file and performance summary in V21 are available, as well as a workspace containing the metabolite.

Search Score: 1

Velpatasvir_RES_V21R1_Simcyp_20230615

Model Files Publication

Prepared: June 2023 The RES-Velpatasvir_V21 model has been developed primarily as 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. There are limited PK and DDI studies available for Velpatasvir and it is generally used in a fixed dose combination using 100 mg Velpatasvir. Thus, the Velpatasvir file is a Fit-for-purpose PBPK model for 50 mg to 100 mg QD. The Rosuvastatin DDI is a 100 mg QD study. Example workspaces for Velpatasvir 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

Artemether

Model Files Publication

Brand Name(s) include: Coartem

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.5) was used in the model along with optimized partitioning into adipose tissue (Kp,adipose = 0.5) to recover the clinical observed data.
Route of Elimination	CYP2B6 and CYP3A4 (non-linear kinetics); incorporates autoinduction of CYP2B6
Perpetrator DDI	Induction of CYP2B6
Validation	Two clinical studies describing single dose exposure and two describing multiple dose exposure of artemether were used to verify the PBPK model. The single dose exposures were within 1.5-fold of observed for both studies. The multiple dose exposures were slightly over-predicted at 2.02 and 2.63-fold for the two studies. Clinical DDI studies with ketoconazole, rifampicin and efavirenz where artemether was the victim of CYP3A4 (and CYP2B6 for efavirenz)-mediated DDIs were accurately recovered (within 1.25-fold) using the PBPK model. A clinical DDI study with efavirenz, where artemether was the perpetrator of a CYP2B6-mediated DDI was accurately recovered (within 1.25-fold) using the PBPK model.
Limitations	The tendency towards over-prediction of artemether exposure upon multiple dosing could indicate a greater extent of induction is required. However, any increase in induction potency resulted in under-prediction of single dose exposure, which is of greater importance for the therapeutic effect of artemether.
Updates in V19	Updated in vitrodata fu: 0.083 -> 0.038 B:P: 1.7 -> 1.1 Optimized ka and t_lag Converted from minimal PBPK model to full PBPK model Optimized CYP2B6 IndC₅₀

Search Score: 1

Maraviroc&Telaprevir&VRT_127394_V15R1_Pfizer_20200405

Model Files Publication

http://dmd.aspetjournals.org/content/47/5/493.long Maraviroc and Telaprevir/healthy volunteer. The workspace is set up as multiple dose over 10 days to account for the MBI of Telaprevir. The metabolite of Telaprevir (VRT-127394) is included in the workspace.

Search Score: 1

Search the PBPK Model Repository

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Clopidogrel_RES_V21R1_Simcyp_20220720

Velpatasvir_RES_V21R1_Simcyp_20230615

Artemether

The model at-a-glance

Maraviroc&Telaprevir&VRT_127394_V15R1_Pfizer_20200405

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