PharmPK Discussion - log P / D Databases

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On 18 Jun 2003 at 01:03:00, david (david.-at-.db5.hsc.net.ou.edu) sent the message

From: Philip.Lienau.at.schering.de
Date: Tue, 17 Jun 2003 16:14:23 +0200
Subject: log P / D Databases

The following message was posted to: PharmPK

Dear all,

I was  seeking  for the log P / D of Digoxin, which has lead me to a search
for a databases / books  or  review articles  listing the most relevant PC
/ ADME Paramerters for evaluating DMPK behaviour of standard drug
substances.

Has anybody a hint if there might be such a database / website / ...
especially for log P / D values?

I found quite good ones for CYP Substrates (
http://medicine.iupui.edu/flockhart/ ) or a literature of Pgp substrates
was metioned to me earlier on via this diskussion forum ( A. Seelig: A
general pattern for substrate recognition by P-glycoprotein. Eur J
Biochem. 1998 Jan 15;251(1-2):252-6)

best regards,

Philip Lienau

Dr. Philip Lienau
Schering AG
Research Pharmacokinetics

Tel.: +49 - 30 - 468 - 18507
Fax: +49 - 30 - 468 - 12238

[This might be the last message until next Monday - db]

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On 18 Jun 2003 at 15:31:08, walter.schmitt.ws.at.bayertechnology.com sent the message


The following message was posted to: PharmPK

Dear Philip,

the PHYSPROP-database of SRC may do the job. Digoxin for example is
contained.
It provides data on logP, Solubility, pKa and others. Online access to
the
database can be found under: http://esc.syrres.com/interkow/physdemo.htm

Best Regards

Walter Schmitt

Bayer Technology Services
Biophysics

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On 2 Jul 2003 at 13:53:11, Roger Jelliffe (jelliffe.at.usc.edu) sent the message


Dear Philip:

About digoxin - the inotropic effect correlated better with the
concentrations in the peripheral (tissue) compartment, and not with the
serum concentrations. In our hands, so does the clinical effects of the
drug. This is really worth keeping in mind, and many are not aware of
it. The real reference is

Reuning R, Sams R, and Notari R: Role of Pharmacokinetics in Drug
Dosage Adjustment. 1. Pharmacologic Effects, Kinetics, and
Apparent Volume of Distribution of Digoxin. J. Clin. Pharmacol. 13:
127-141, 1973.

We use a model based on their work in our clinical USC*PACK and
more recent MM-USC*PACK software for planning, monitoring, and
adjusting dosage regimens of digoxin. More info is on our web site
www.lapk.org.

Very best regards,

Roger Jelliffe

Roger W. Jelliffe, M.D. Professor of Medicine,
Division of Geriatric Medicine,
Laboratory of Applied Pharmacokinetics,
USC Keck School of Medicine
2250 Alcazar St, Los Angeles CA 90033, USA
Phone (323)442-1300, fax (323)442-1302, email= jelliffe.aaa.usc.edu
Our web site= http://www.lapk.org

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