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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 80 Matches

Ceftazidime_V23R1_Simcyp_20241018

Model Files Publication

The Ceftazidime file is set as IV infusion of 1g over 3 minutes (0.05 h), thus the user is advised to ensure that after oral dosing an fa of 1 (CV=0%), ka of 2 h^-1 (CV=30%) and a lag time of 1.5 h (30%) is used as stated in the Supplement Material Table S1 of the publication (PMID: 38675135). The Ceftazidime file has been evaluated in a Pregnant Population.

Search Score: 1

Ertugliflozin_V15R1_Pfizer_20220726

Model Files Publication

Ertugliflozin compound file, UGT1A9 and UGT2B4/7 substrate. Model developed and verified using ADME, IV PK and SD/MD clinical data. Simulated DDI with UGT inhibitor mefenamic acid. https://ascpt.onlinelibrary.wiley.com/doi/full/10.1002/psp4.12581

Search Score: 1

Rivaroxaban_V17R1_NationalUniversityofSingapore_20200923

Model Files Publication

https://dmd.aspetjournals.org/content/47/11/1291/tab-article-info This workspace was developed to recapitulate the magnitude of drug-drug interaction reported between Rivaroxaban and Verapamil as reported by Greenblatt et al. (https://pubmed.ncbi.nlm.nih.gov/29194698/) Note 1: In Table 1 of the publication the Caco-2 Papp (pH 7.4:7.4) was reported as 8 x 10-6 cm/s; however, the Rivaroxaban file in the workspace is using a Caco-2 Papp (pH 7.4:7.4) of 21.8 x 10-6 cm/s. This Papp is in line with the reported scalar in the EXCEL outputs and the Table 1. The obtained Rivaroxaban plasma concentration time profile is in line with the reported Figure 2C in the publication. Note 2: In Table 1 of the publication, input data for Mech KiM are stated; however, the Rivaroxaban file in the workspace is using a User Input for the renal clearance of 3.1 L/h; while the input data for Mech KiM are included in the compound file, they are not activated within the workspace, which is mimicking a DDI with Verapamil and Norverapamil. Note 3: Bile:micelle parameters were changed from 3.4 to 3.5.

Search Score: 1

Pyronaridine

Model Files Publication

Brand Name(s) include: Pyramax

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

Related files: Artesunate (fixed dose combination – Pyramax)

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 3) Note: Kp scalar used
Route of Elimination	CYP1A2, CYP2B6, CYP2C8, CYP2D6 and CYP3A4
Perpetrator DDI	CYP2D6 Inhibitor P-gp Inhibitor
Validation	Two clinical studies describing pyronaridine exposure were available for model verification. 100% of predicted Cmax were within 1.5-fold of those observed whereas 40% of AUC were predicted within 1.5-fold of observed. This can be explained as observed exposure at 9mg/kg dose was lower than at 6 mg/kg. The model recovered the observed data at the 6 mg/kg dose but then over predicted that at the higher dose.
Limitations	One challenge in the verification of the model is the diverse ethnicities of subjects in reported clinical data and how best to reflect this in simulations. In the absence of virtual Korean populations within the Simulator, the Caucasian population was modified in terms of bodyweight. In the absence of supporting information, no changes to enzyme abundance (pmol/mg) were made to the population, although changes to liver weight (as a function of body weight) and hence total CYP abundance were propagated into the model.
Updates in V19	Switched to Method 3 to facilitate like for like comparisons for covid- 19 repurposing strategies

Search Score: 1

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Ceftazidime_V23R1_Simcyp_20241018

Ertugliflozin_V15R1_Pfizer_20220726

Rivaroxaban_V17R1_NationalUniversityofSingapore_20200923

Pyronaridine

The model at-a-glance

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