search

Open-Systems-Pharmacology / Forum

Discussion forum for the Open Systems Pharmacology Project
65 stars 19 forks source link

Could PK-Sim simulate renal reabsorption? #444

Closed jzq90 closed 4 years ago

jzq90 commented 4 years ago

I know it is possible to adjust GFR fraction to compensate for the reabsorption or active secretion process. But is there a method to calculate or predict the reabsorption process from physiochemical properties, especially for the passive reabsorption, when experimental data is unavailable.

StephanSchaller commented 4 years ago

is there a method to calculate or predict the reabsorption process from physiochemical properties

No, sorry to say this is currently not an option within PK-Sim.

The couple of free tools we know of to calculate (Q)SAR (also some renal reabsorption transporters included) are:

pkCSM:

http://biosig.unimelb.edu.au/pkcsm/prediction

and admetSAR

http://lmmd.ecust.edu.cn/admetsar2/

Hope this helps, Stephan

jzq90 commented 4 years ago

Hi Stephan,

The tools you share seems very interesting. I will look into it. Thanks very much for sharing.

Best, Aaron