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Metabolism and bile clearance #535

Closed leeking-55 closed 4 years ago

leeking-55 commented 4 years ago

hi, everyone.I encountered some problems and need your help.The drug is metabolized by CYP3A4 by more than 80%, and the unchanged drug excretionis via the urine and bile is about 2.5%. In the software, I define metabolism. How to define bile excretion? Whether based on unchanged drug via bile to defined. image image I really need help. best wishes, leeking.

jzq90 commented 4 years ago

Maybe you can use the amount in bile (2.5% of the dose)/AUCplasma to get bile clearance

leeking-55 commented 4 years ago

Thanks for your answers, but I am still a little confused. Do you mean that I only need to focus on unchange drug? The excretion via bile marked with [14C ] is about 60%, don't I need to focus on this? best wishes, leeking

At 2020-05-27 16:58:09, "Aaron Jiang" notifications@github.com wrote:

Maybe you can use the amount in bile (2.5% of the dose)/AUCplasma to get bile clearance

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StephanSchaller commented 4 years ago

If you change the value above which you marked with a yellow questionmark, to sth else than zero you have biliary clearance of the compound the process was defined for.

If you want to account also for the metabolite, you first have to define a metabolite as compound and link it as metabolite to the enzymatic metabolism of the parent and then define biliary clearance for the metabolite as well.

You can then use the simulation output "fraction excreted to bile" to check how much of the dose from parent and metabolite ended up in bile...

leeking-55 commented 4 years ago

thanks for your kindly help have a good day, leeking.

At 2020-05-28 04:10:23, "esqlabs GmbH" notifications@github.com wrote:

If you change the value above which you marked with a yellow questionmark, to sth else than zero you have biliary clearance of the compound the process was defined for.

If you want to account also for the metabolite, you first have to define a metabolite as compound and link it as metabolite to the enzymatic metabolism of the parent and then define biliary clearance for the metabolite as well.

You can then use the simulation output "fraction excreted to bile" to check how much of the dose from parent and metabolite ended up in bile...

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub, or unsubscribe.