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Default HTS by NMR of Combinatorial Libraries: A Fragment-Based Approach to Ligand Discovery.

HTS by NMR of Combinatorial Libraries: A Fragment-Based Approach to Ligand Discovery.

Related Articles HTS by NMR of Combinatorial Libraries: A Fragment-Based Approach to Ligand Discovery.

Chem Biol. 2013 Jan 24;20(1):19-33

Authors: Wu B, Zhang Z, Noberini R, Barile E, Giulianotti M, Pinilla C, Houghten RA, Pasquale EB, Pellecchia M

Abstract
Fragment-based ligand design (FBLD) approaches have become more widely used in drug discovery projects from both academia and industry, and are even often preferred to traditional high-throughput screening (HTS) of large collection of compounds (>10(5)). A key advantage of FBLD approaches is that these often rely on robust biophysical methods such as NMR spectroscopy for detection of ligand binding, hence are less prone to artifacts that too often plague the results from HTS campaigns. In this article, we introduce a screening strategy that takes advantage of both the robustness of protein NMR spectroscopy as the detection method, and the basic principles of combinatorial chemistry to enable the screening of large libraries of fragments (>10(5) compounds) preassembled on a common backbone. We used the method to identify compounds that target protein-protein interactions.


PMID: 23352136 [PubMed - in process]



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