[Pseudoreceptor modeling - a tool in the pharmacological screening process]
Pseudoreceptor Modeling, a new concept within the field of Computer-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 strength 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.
Vedani
Angelo
A
Schweizerisches Institut für Alternativen zu Tierversuchen (SIAT), Biografik Labor, CH-Basel.