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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 126 Matches

Benzylpenicillin_RES_V20R1_Simcyp_20210512

Model Files Publication

The RES-Benzylpenicillin file was primarily developed as a substrate of renal OAT3 transport. This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of benzylpenicillin considered within the model.

Search Score: 1

Rosuvastatin_V17R1_ASTAR_20190724

Model Files Publication

The submitted compound file for Rosuvastatin uses ADAM, Full-PBPK method 2, enzyme kinetics for metabolism and transporter kinetics for the 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.ncbi.nlm.nih.gov/pubmed/31079160

Search Score: 1

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: 1

Sulfadoxine

Model Files Publication

Brand Name(s) include: Fansidar

Disease: Malaria

Drug Class: Sulfonamide

Date Updated: March 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Minimal PBPK (User input Vss)
Route of Elimination	Renal clearance (90%); non-specific hepatic metabolism (10%)
Perpetrator DDI	None
Validation	Four clinical studies describing single and multiple dose exposure of sulfadoxine were used to verify the PBPK model. In comparison of predicted vs. observed AUC, 100% of the studies were within 2-fold and 75% were within 1.5-fold.
Limitations	In the absence of adequate data on the metabolism and excretion of sulfadoxine, it was assumed that 90% was cleared renally and 10% was metabolized by the liver.
Updates in V19	Updated in vitrodata LogP: 4.22 -> 0.54

Search Score: 1

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Benzylpenicillin_RES_V20R1_Simcyp_20210512

Rosuvastatin_V17R1_ASTAR_20190724

Doxycycline

The model at-a-glance

Sulfadoxine

The model at-a-glance

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