Chapter 2: Target-based Screening and Structure-based Design Approaches to Develop Modulators of Protein–Protein Interactions
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Published:25 Nov 2020
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Special Collection: 2020 ebook collectionSeries: Chemical Biology
A. E. Modell and P. S. Arora, in Inhibitors of Protein–Protein Interactions, ed. A. Tavassoli, The Royal Society of Chemistry, 2020, ch. 2, pp. 40-65.
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Several complementary approaches have been developed to discover modulators of protein–protein interactions (PPIs). This chapter provides a perspective on bioinformatic classifications of PPIs, which has led to a better understanding of which PPIs are more amenable to modulation. Next, workflows to target PPIs are outlined, including phenotypic screening and target-based approaches. Target-based approaches can be further categorized into structure-based design and target-based screening. The overview, benefits, and drawbacks of each workflow are discussed. Last, we illustrate two complementary computational methods to assess protein interfaces using the KIX protein.