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

Searching Tips

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”.

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

Found 126 Matches

Rofecoxib_V18R1_LongIslandUniversity_20210119

Model Files Publication

This is a compound file for rofecoxib - a mechanism based inhibitor of CYP1A2. The input values for the Rofecoxib PBPK model are listed in table 2 of the publication. The file uses a User input for fa and ka with a CV of 30% for each, a predicted fugut of 0.066 and a predicted Qgut of 16.271 L/h. Competitive CYP1A2 Inhibition with a Ki of 2.25 µM and fumic of 0.88 is also included in the file.

Search Score: 1

Tizanidine_V18R1_LongIslandUniversity_20210119

Model Files Publication

This is compound file for tizanidine, a CYP1A2 substrate. The input values for the Tizanidine PBPK model are listed in table 1 of the publication. The file uses a User fugut of 1E-06. A solid formulation is used with the segregated transit time model activated and a predicted aqueous phase intrinsic solubility.

Search Score: 1

Tramadol_V14R1_AstraZeneca_20200427

Model Files Publication

Tramadol adult compound file for pediatric prediction. The following parameters need to be updated, as compared to Table 2 in the manuscript: CYP2D6 0.7, CYP3A4 0.035, CYP2B6 0.1, CLr 6.6 L/hr

Search Score: 1

Maraviroc

Model Files Publication

Brand Name(s) include: Selzentry

Disease: HIV

Drug Class: HIV Entry and Fusion Inhibitor

Date of Review: 2020

Number of Models Reviewed: 3

Number of Models added to the Repository: 1

The model at-a-glance

Publication	Kimoto, E., Vourvahis, M., Scialis, R. J., Eng, H., Rodrigues, A. D., & Varma, M. V. S. (2019). Mechanistic Evaluation of the Complex Drug-Drug Interactions of Maraviroc: Contribution of Cytochrome P450 3A, P-Glycoprotein and Organic Anion Transporting Polypeptide 1B1. Drug metabolism and disposition: the biological fate of chemicals, 47(5), 493–503.
Simcyp Version	V15
Published Model Application	DDI prediction
Absorption Model	ADAM; includes P-gp in the intestines
Volume of Distribution Details	Full PBPK
Route of Elimination	CYP3A4 Renal clearance Includes hepatic biliary clearance by OATP1B1
Advantages and Limitations	Model was developed to evaluate DDI of maraviroc as victim. Model was verified with IV and oral data. Model was verified as a victim of interactions with ketoconazole, ritonavir, efavirenz and rifampin
Model Compound Files	v15_res_maraviroc_simcyp_kimoto v15_res_maraviroc_simcyp_kimoto_iv_3mg v15_res_maraviroc_simcyp_kimoto_iv_10mg v15_res_maraviroc_simcyp_kimoto_iv_30mg v15_res_maraviroc_simcyp_kimoto_po_150mg_bid

Search Score: 1

Search the PBPK Model Repository

Searching Tips

Rofecoxib_V18R1_LongIslandUniversity_20210119

Tizanidine_V18R1_LongIslandUniversity_20210119

Tramadol_V14R1_AstraZeneca_20200427

Maraviroc

The model at-a-glance

Your Privacy