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How to know the fraction unbound (assay)? #442

jzq90 opened this issue Jan 7, 2020 · 0 comments

How to know the fraction unbound (assay)? #442

jzq90 opened this issue Jan 7, 2020 · 0 comments


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@jzq90 jzq90 commented Jan 7, 2020

When input the hepatic clearance, the fraction unbound (assay) proportionally influences the specific clearance with either microsome or hepatocytes and. Apparently, the fraction unbound in tissue is also compound-dependent like fraction unbound in plasma. The default value of fraction unbound (assay) is 0.10 and 0.99 for hepatocytes and microsome respectively. Are these two values universal or just arbitrary assumptions? If they are not universal, that means you have to measure fraction unbound in hepatocytes or microsomes for every compound.
There is a method to calculate the partitioning coefficient inserted in PK-Sim, so could fraction unbound in the liver also be calculated when the free drug hypothesis is applied.

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