TIde: a software for the systematic scanning of drug targets in kinetic network models.

ABSTRACT:

Background

During the stages of the development of a potent drug candidate compounds can fail for several reasons. One of them, the efficacy of a candidate, can be estimated in silico if an appropriate ordinary differential equation model of the affected pathway is available. With such a model at hand it is also possible to detect reactions having a large effect on a certain variable such as a substance concentration.

Results

We show an algorithm that systematically tests the influence of activators and inhibitors of different type and strength acting at different positions in the network. The effect on a quantity to be selected (e.g. a steady state flux or concentration) is calculated. Moreover, combinations of two inhibitors or one inhibitor and one activator targeting dif

SUBMITTER: Schulz M 

PROVIDER: S-EPMC2773792 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature