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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 63 Matches

Primaquine

Model Files Publication

Brand Name(s) include: Jasoprim, Malirid, Neo-Quipenyl, Pimaquin, Pmq, Primachina, Primacin, Primaquina, Primaquine, Primaquine diphosphate, Primaquine Phosphate, and Remaquin

Disease: Malaria, Plasmodium vivax, Plasmodium ovale

Drug Class: Antimalarial

Related Files: Carboxyprimaquine (metabolite)

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Routes of Elimination	89% MAO (entered using ‘user-UGT’ as a surrogate in the Simulator), 11% CYP2D6
Perpetrator DDI	CYP1A2 Inhibitor (in vitro)
Validation	6 studies with single (15 to 45 mg) and multiple (15 mg QD) dosing. 100% of Cmax and AUC values within 1.5-fold. No clinical DDI studies to verify contribution of metabolic routes
Limitations	The active metabolites of primaquine have not characterized due to their instability. Therefore, a PBPK model for active metabolites cannot be developed in their own right. Qualitative data suggests a role of P-gp, however, Jmax and Km values have not been measured. There is evidence of enantiomer specific metabolism for primaquine which has not been considered in the current model.
Updates in Version 19	Updated in vitroprotein and blood binding data and subsequent back calculation of CLint (retrograde approach) f_u: 0.19 -> 0.26 B:P: 1 -> 0.82 Converted from minimal PBPK model to full PBPK model

Search Score: 1

Emtricitabine_V18R1_Simcyp_20200212

Model Files Publication

https://www.ncbi.nlm.nih.gov/pubmed/31602556 FO, mainly renally excreted. Has been used for HV, Pregnancy population and elderly population.

Search Score: 1

Rosuvastatin_Itraconazole_OH-Itraconazole_V19R1_Pfizer_20210804

Model Files Publication

An optimized Rosuvastatin (V19) model was used and DDIs predominantly driven by gut BCRP inhibition are reasonably recovered. Altogether, the following inhibitors were used: Capmatinib Fenebrutinib Fostamatinib Itraconazole Zepatier The workspace represents the DDI between Rosuvastatin and Itraconazole. Link to the publication with further details: http://doi.org/10.1002/psp4.12672

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

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Primaquine

The model at-a-glance

Emtricitabine_V18R1_Simcyp_20200212

Rosuvastatin_Itraconazole_OH-Itraconazole_V19R1_Pfizer_20210804

Fostamatinib_RES_V21R1_Simcyp_20230615

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