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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The RES-Darolutamide_V21 model has been developed primarily as inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. Darolutamide shows dose proportional PK between 100 to 700 mg BID. It is a BSCII compound, where the metabolite is a potent BCRP-inhibitor too. Darolutamide is possibly a weak CYP3A inducer in the clinic. The back-conversion of Keto-darolutamide to Darolutamide is efficiently catalyzed via cytosolic AKR1C3 (in vitro). This back-conversion is also observed in incubations of feces under anaerobic conditions (in vitro). In the compound fit-for-purpose compound file, the back-conversion was fixed to recover the concentration time profile for the 600 mg BID as this was the dose for the reported Rosuvastatin DDI. Note that two workspaces need to be run to simulate the Darolutamide DDI and then the results have to be combined. This is due to having to switch the position of Darolutamide and rosuvastatin (limitations on functionality on inhibitory metabolite in the Simcyp Simulator currently).
Brand Name(s) include: Intelence
Disease: HIV
Drug Class: Non-nucleoside reverse transcriptase inhibitors
Date of Review: 2020
Number of Models Reviewed: 3
Number of Models added to the Repository: 1
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Publication |
Moltó, J., Rajoli, R., Back, D., Valle, M., Miranda, C., Owen, A., Clotet, B., & Siccardi, M. (2017). Use of a physiologically based pharmacokinetic model to simulate drug-drug interactions between antineoplastic and antiretroviral drugs. The Journal of antimicrobial chemotherapy, 72(3), 805–811. |
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Simcyp Version |
Not a Simcyp model (Matlab/Simbiology) |
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Published Model Application |
Simulation of DDIs |
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Absorption Model |
Compartmental absorption |
| Volume of Distribution Details |
Full PBPK |
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Route of Elimination |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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Publication |
Rajoli, R. K., Back, D. J., Rannard, S., Freel Meyers, C. L., Flexner, C., Owen, A., & Siccardi, M. (2015). Physiologically Based Pharmacokinetic Modelling to Inform Development of Intramuscular Long-Acting Nanoformulations for HIV. Clinical pharmacokinetics, 54(6), 639–650. |
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Simcyp Version |
Not a Simcyp model (Matlab/Simbiology) |
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Published Model Application |
Long-acting injectable formulation assessment |
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Absorption Model |
Compartmental and transit model |
| Volume of Distribution Details |
Full PBPK |
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Route of Elimination |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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Publication |
Litou, C., Turner, D. B., Holmstock, N., Ceulemans, J., Box, K. J., Kostewicz, E., Kuentz, M., Holm, R., & Dressman, J. (2020). Combining biorelevant in vitro and in silico tools to investigate the in vivo performance of the amorphous solid dispersion formulation of etravirine in the fed state. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 149, 105297. |
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Simcyp Version |
V17 |
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Published Model Application |
Prediction of Food Effect |
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Absorption Model |
ADAM |
| Volume of Distribution Details |
Full PBPK |
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Route of Elimination |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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