Traditional approach to drug discovery has been based on screening of new chemical entities using relevant, mostly in vivo, disease models. The models worked as “black boxes” and consequently, a choice of compounds for screening was independent of our knowledge on etiology and nature of the disease.

Progress in all fields of biology, informatics, medicine and chemistry resulted in a new methodology of drug discovery, where the introductory screening was based on evaluation of interaction between a single receptor, so called target, and the tested molecules. The new approach has two important features, first, the biochemical tests are relatively easy for automation, what makes possible a massive screening of even hundreds of thousands of compounds, and secondly, the known structures of the receptor enable rational design of the tested molecules.

The new method has been in use for almost the past two decades, and comparison of effectiveness of the both approaches seems to be possible. Advantages and disadvantages of the modern and traditional methods are discussed.

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