Acquiring metabolising enzymes pre-set data

[lghi77]

Hello,
I am a new user of PK Sim and am currently building a new compound model for venlafaxine in PK-Sim 12 Update 3. Since venlafaxine is primarily metabolised by CYP2D6, I would like to include CYP2D6-mediated metabolism in the model.
However, when configuring the expression profile, I cannot find any predefined CYP2D6 enzyme expression data available in the database.
Is CYP2D6 expression supposed to be available as a built-in system parameter in PK-Sim, or is the expectation that users manually enter the enzyme expression data when creating a new model?
I would appreciate any guidance on the recommended workflow for handling CYP2D6 expression in PK-Sim.
Thank you.

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[Ricardo-DO]

Hi Ighi,

I've just checked in PKSim 12.2 and there is CYP2D6 expression.
When you add your metabolising enzyme, you go to
Building blocks --> Expression profiles --> CYP2D6

There on the top right corner you will see a button named "Database query" and when you click on it, you will see the different patters of expression.

You need tohave downloaded the Genome database and link it to PKSim, in order for this to work.
You can download it from here.
https://github.com/Open-Systems-Pharmacology/Suite/releases/tag/v12.3

Here's a great tutorial by the University of Saarland on how to use PKSim.
https://youtu.be/_-6bCQXYebo?si=0xi7QoKv3vw0KVqT

Cheers,
Ricardo

[lghi77]

Thank you! This has fixed my issue.

[HenrikCordes]

Hi @lghi77 ,

did you set the link correctly in the PKSIM software to the expression db you downloaded?

[lghi77]

Thank you I have made sure to do this!