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
Simcyp developed Paclitaxel compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in summary document.
Supplemental table. Ki against OAT transporters can be changed (sensitivity analysis was conducted in the referenced publication to explore "in vivo" Ki).
The RES-Simvastatin lactone and RES-Simvastatin acid models within the Simcyp Compound Repository have been developed as substrates of CYP3A4, CYP2C8, BCRP (simvastatin lactone), CES1 (simvastatin lactone) and OATP1B1 (simvastatin acid). Additionally, the models account for the interconversion between the lactone and acid forms in the acidic environment of the stomach. Note: Before running a simulation, modify the population to account for gastric luminalmetabolism. To do this, follow these steps:
This document provides:
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.
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