Titlebook: Drug Target Selection and Validation; Marcus T. Scotti,Carolina L. Bellera Book 2022 The Editor(s) (if applicable) and The Author(s), unde

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Structure-Based Binding Pocket Detection and Druggability Assessment,een implied based on evolutionary relationships (using a sort of transitivity or “guilt by association” principle), or by predicting druggable pockets from different levels of structural information, without comparison with any template. The latter approximations, which will invariably depart from t

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Q,antages as well as disadvantages. The efficient execution of every scientific process involves significant infrastructure set up and expertise in multiple disciplines (chemistry, proteomics, genomics, and bioinformatics). The collaborative work scheme comprising integrated knowledge of all of these

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R, chemical-based approaches can be used complementary to address this goal. In this chapter, we provide an overview of the diverse strategies available to (bio)chemically and biologically validate a molecular target and discuss important concepts in this area.

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