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Cyp enzyme question

Skorpio

Skorpio

Sr. Moderator: N&PD, S&T
Staff member
Joined
May 11, 2011
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Is there a resource that shows what actions each cyp enzyme does? Looking online I can only find substrate lists, not the route of metabolism.

If there isn't a good list like this, is there a resource that shows various substrates and their end products?
 
Thanks for sharing! :) We definitely need a database or wiki to collect such excellent links and all ...
 
I think there's a tool called SMARTCYP out there on the web that will actually predict where on a molecule cyp enzymes (mostly 3a4 and 2d6/2b6 I think) will do their magic. It's based upon neural networks, or some other magical hohokum.
 
SMARTCyp Web Service
SMARTCyp predicts the sites in molecules that are most liable to cytochrome P450 mediated metabolism.

What does SMARTCyp do?
SMARTCyp is a method for prediction of which sites in a molecule that are most liable to metabolism by Cytochrome P450. It has been shown to be applicable to metabolism by the isoforms 1A2, 2A6, 2B6, 2C8, 2C19, 2E1, and 3A4 (CYP3A4), and specific models for the isoform 2C9 (CYP2C9) and isoform 2D6 (CYP2D6) are included from version 2.1. CYP3A4, CYP2D6, and CYP2C9 are the three of the most important enzymes in drug metabolism since they are involved in the metabolism of more than half of the drugs used today.
Click to expand...

It even includes an online molecule drawer. Current technological / scientific achievements will never stop to amaze me...
We need more things like that!
 
MXE actually gets metabolised to 3-HO-2'-OxO-PCE (with presumably some mu affinity) by 2D6, I knew it! ;)

 
The drawing applet does not work for me. Anyone else have this problem?

Edit: found a solution for other people having this problem.

Draw your molecule on this: http://www.molinspiration.com/cgi-bin/properties

Then right click on the interface and select "Copy as MOL". Then go back onto SMARTCyp and click on the yellow folder and paste the text and your molecule should load.
 
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What browser do you use? In Safari / Webkit it works, at least here. But the SmartCyp crashes from time to time as I've noticed.
 
Hmm, thought Chrome should be the same codebase at least vs. Firefox / Internet Explorer ...
 
Ok, it works fine on Internet Explorer but does not work on Chrome.

What is the "standard" prediction? As in what enzyme is that prediction referring to. I tried downloading the java applet but that doesn't open. It only does the "standard prediction", cyp2c and 2d6 on the web applet.

Also, span to end of molecule doesn't seem to be defined well.
 
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