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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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Brand Name(s) include: Zithromax
Disease: Malaria
Drug Class: Marcolide Antibiotic
Date Updated: March 2021
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Absorption Model |
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Volume of Distribution |
Note: A Kp scalar (0.04) was used in the model |
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Route of Elimination |
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Perpetrator DDI |
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Validation |
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Limitations |
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Updates in V19 |
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Metabolite of fesoterodine. Note/correction: 1. PKa 9.3 instead of 7.6 (in supplemental materials) 2. the intrinsic clearance (CLint) values of CYP3A4 and CYP2D6 should be 0.085 and 1.455 uL/min/pmol enzyme 3. note simulation with ketoconazole, ketoconazole cmp file modified with p-gp inhibition constant (Ki) of 0.015 uM (assumed)
Mefenamic acid and dapagliflozin/healthy volunteer. This workspace simulates the UGT mediated DDI after multiple dose administration of UGT inhibitor mefenamic acid. The workspace shows Dapaglifazin as substrate of UGTA9 and UGT2B7. Mefenamic Acid is used in the inhibitor position and Ki values against UGT1A9 and UGT2B7 are included in the workspace.
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).
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