Reactivity/Selectivity Methods For Calibrating Predictive Models for P450

Brief Description

Applications

This technology relates to the development of computational models for predicting rates of drug metabolism.

 

Advantages

This method is the only one of its kind that allows for the quantitative prediction of metabolic regioselectivity. This approach assists in the assessment of metabolic properties of new drugs and in the redesign of promising compounds to have better metabolic characteristics.

 

URV Reference Number: 6-0796

Patent Information:
Title Country Patent No. Issued Date
Use of Computational and Experimental Data to Model Organic Compound Reactivity in Cytochrome P450 Mediated Reactions and to Optimize the Design of Pharmaceuticals United States 6,643,591 11/4/2003
Category(s):
Therapeutic
For Information, Contact:
John FahnerVihtelic
Senior Licensing Manager
University of Rochester
585.276.6600
john.fahner-vihtelic@rochester.edu
Inventors:
Kenneth Korzekwa
Jeffrey Jones
LeeAnn Higgins
Keywords:
Drug Design
Drug screening
Software