Review
Nature Reviews Drug Discovery 7, 667-677 (August 2008) | doi:10.1038/nrd2615
Pseudoreceptor models in drug design: bridging ligand- and receptor-based virtual screening
Yusuf Tanrikulu1 & Gisbert Schneider1 About the authors
Abstract
Rational drug design is based on explicit or implicit structure–activity relationship models. Typically, receptor-based or ligand-based strategies are pursued, depending on the information available about known ligands and the receptor structure. Pseudoreceptor models combine the advantages of these two strategies and represent a unifying concept for both receptor mapping and ligand matching. They can provide an entry point for structure-based modelling in drug discovery projects that lack a high-resolution structure of the target. Here, we review the field of pseudoreceptor modelling techniques along with recent hit and lead finding applications, and critically discuss prerequisites, advantages and limitations of the various approaches.
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Author affiliations
- Institute of Organic Chemistry and Chemical Biology, Johann Wolfgang Goethe-University Frankfurt, Siesmayerstrasse 70, D-60323 Frankfurt, Germany.
Correspondence to: Email: g.schneider@chemie.uni-frankfurt.de
Published online 18 July 2008
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