ANNC: Enzyme Inhibition Kinetics (preprint)

Petr Kuzmic pkuzmic at biokin.com
Mon Jan 24 10:37:15 EST 2000

Hi, people interested in high-throughput screening of enzyme inhibitors
might be interested in reading a paper currently in press in Analytical


The journal (don't know the volume or issue number yet) should appear in
libraries a few months from now.  Here is the abstract:


 High-throughput screening of enzyme inhibitors: 
 Automatic determination of tight-binding inhibition constants

 Petr Kuzmic 1,*, Steve Sideris 2, Lynne M. Cregar 2, Kyle
 C. Elrod 2, Kenneth D. Rice 3, and James W. Janc 2 

 1 BioKin, Ltd., P.O. Box 8336, Madison, WI 53708
 2 Department of Enzymology and
 3 Department of Medicinal Chemistry
   Axys Pharmaceuticals, Inc., 180 Kimball Way, South
   San Francisco, CA 94080 


 Determination of tight-binding inhibition constants by
 nonlinear least-squares regression requires sufficiently
 good initial estimates of the best-fit values. Normally an
 initial estimate of the inhibition constant must be provided
 by the investigator. This paper describes an automatic
 procedure for the estimation of tight-binding inhibition
 constants directly from dose-response data. Because the
 procedure does not require human intervention, it was
 incorporated into an algorithm for high-throughput
 screening of enzyme inhibitors. A suitable computer
 program is available electronically
 (http://www.biokin.com). Representative experimental
 data are shown for the inhibition of human mast-cell

Petr Kuzmic, Ph.D. * BioKin, Ltd. * Consulting & Software Development
http://www.biokin.com * (608) 256-4790 * (608) 256-1269 FAX

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