[Chimera-users] Pioglitazone Tautomers

Nancy nancy5villa at gmail.com
Sun Jan 9 15:08:17 PST 2011

Hi All,

I am performing molecular docking and molecular dynamics simulations of the
thiazolidinedione pioglitazone binding to the PPAR-gamma receptor protein
(PDB ID: 1ZGY).  The thiazolidinedione ring can exist in numerous different
tautomeric states; I have attached a figure depicting several of them.
Which tautomer would be dominant at the physiological pH of ~7.0?

Also, are there any software programs that can predict which tautomer would
be correct?

Thanks in advance,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20110109/e8da6142/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Pioglitazone_Tautomers.png
Type: image/png
Size: 43414 bytes
Desc: not available
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20110109/e8da6142/attachment.png>

More information about the Chimera-users mailing list