[Pseudoreceptor modeling - a tool in the pharmacological screening process] [Article in German]

Abstract

Pseudoreceptor Modeling, a new concept within the field ofComputer-Aided Drug Design, allows the reconstruction  of the three-dimensional structure of an unknown bioregulator based on the structures of its ligands (known bioactive compounds). It combines the present techniques but significantly extends their possibilities by the generation  of an explicit receptor model. This model may subsequently  be used for the qualitative prediction of the binding strenght of novel drug molecules.
The relevance of pseudoreceptor  modeling for reducing and replacing animal models is given by the fact that the technique can be applied under circumstances where little or no information is available on the true biological receptor, a situation where up to date only in vivo techniques were promising.  As a first technique, pseudoreceptor modeling allows the scree­ning of potential drug molecules of an unknown bioregulator ex vivo.