RE: QSAR - QSAR: Published correlations of animal versus human P K data for numerous compounds ?

James (and other interested members),
 
The short answer is: yes!
 
For your particular question on comparison of bioavailability in man to
animals (rodents, dog), see e.g.
H. van de Waterbeemd and B.C. Jones, Predicting oral absorption and
bioavailability, Progr.Med.Chem. 41 (2003) 1-59.
 
Similar plots for Clearance and Volume of distribution exist elsewhere.
 
Hope this helps,
 
Han

-----Original Message-----
From: james.metz..abbott.com [mailto:james.metz^-^abbott.com]
Sent: 15 October 2003 03:42
To: qsar_society ~ accelrys.com
Cc: james.metz]_[abbott.com
Subject: QSAR - QSAR: Published correlations of animal versus human PK data
for numerous compounds ?

QSAR Society,

        Numerous publications exist which attempt to develop QSAR models to
predict ADMET in humans
and other preclinical animal species. A significant component of the
pharmaceutical industry presupposes that
preclinical pharmacokinetics (PK) in animals is at least *somewhat*
predictive of PK in humans.

        Is anyone aware of any publications which clearly show the
correlation (or lack thereof !) between experimental
PK data in animals and humans for more than a few compounds? For example,
is anyone aware of any publications
showing a plot of po %F in rats (or mice) versus po %F humans for say 20 -
30 (hopefully more) compounds?

        I am aware of publications with a few isolated comparisons.
However, I am looking for a more definitive,
"comprehensive" analysis. I have yet to find any !

        Thank you,
        Jim Metz

        
James T. Metz, Ph.D.
Research Investigator Chemist

GPRD R46Y AP10-2
Abbott Laboratories
100 Abbott Park Road
Abbott Park, IL 60064-6100
U.S.A.

Office (847) 936 - 0441
FAX (847) 935 - 0548

james.metz(~)abbott.com
Received on 2003-10-15 - 11:55 GMT