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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.

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Found 93 Matches

Proguanil

Model Files Publication

Brand Name(s) include : Malarone (fixed dose combination with atovaquone)

Disease: Malaria, prophylaxis against Plasmodium falciparum in travelers

Drug Class: Antimalarials

Date Updated: March 2022

Related Files: Cycloguanil (metabolite of proguanil), Atovaquone (drug partner in fixed dose combinations)

Model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: Kp scalar used
Route of Elimination	CYP2C19, CYP3A4, renal clearance
Perpetrator DDI	CYP2D6 Inhibitor
Validation	Proguanil and cycloguanil files were built using in vitro and clinical (Jeppersen et al., 1997) data 3 clinical studies describing single and multiple dose exposure of proguanil were used to verify the PBPK model. 66% of studies were within 2-fold, of which 33% were within 1.5-fold. A clinical DDI study where proguanil was the victim of a CYP2C19-mediated DDI was accurately recovered using the PBPK model.
Limitations	Prediction of proguanil exposure was complicated by not knowing the polymorphism classification of subjects in each study, hence the model performance was deemed acceptable using the criteria of being within 2-fold of observed. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time With a large CL_Rcomponent and chemical relation to metformin, we hypothesise that proguanil may be a substrate for active transport in the kidney. However, owing to a lack of mechanistic information relating to active transport this cannot be built into the model.
Updates in V19	Modification of fm values Model converted from minimal to full PBPK distribution model Updated CYP2D6 IC50

Search Score: 1

Cancer_Population_V10R1_Genentech_20170113

Model Files Publication

The attached file is the cancer population file that was developed by Genentech in Simcyp V10 and published by Cheeti et al Biopharm. Drug Dispos. (2013).

Search Score: 1

Lamotrigine_V17R1_HussonUniversity_20210628

Model Files Publication

https://pubmed.ncbi.nlm.nih.gov/30460522/ Lamotrigine IR and XR formulations in adults and in children aged between 4 and 17 years. 1) The file is set as FO file (IR formulation), the ADAM model can be activated and the corresponding models, like the segregated transit time model are then available to simulate the XR formulation. 2) The model is using absolute scaling for UGT1A3 and UGT1A4. For V21 the absolute abundance data for UGT1A3 were updated and hence the corresponding ISEF may require adjustment if the file is used in later versions.

Search Score: 1

Pitavastatin_V17R1_ASTAR_20190730

Model Files Publication

The submitted compound file for Pitavastatin uses ADAM, Full PBPK method 2, enzyme kinetics for metabolism and transporter kinetics for intestinal absorption, permeability limited liver model and MechKiM model. Tissue : Plasma partition coefficients have been modified to include data obtained from rat distribution studies. It has been used together with the unmodified Sim-Healthy Volunteer library file. https://www.altex.org/index.php/altex/article/view/1215

Search Score: 1

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Proguanil

Model at-a-glance

Cancer_Population_V10R1_Genentech_20170113

Lamotrigine_V17R1_HussonUniversity_20210628

Pitavastatin_V17R1_ASTAR_20190730

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