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Natural product-based fragment libraries for ligand discovery

Natural product-based fragment libraries could be used to identify ligands against targets that are difficult to drug. A computational analysis of 180,000 natural products identified 2,000 structurally varied fragments that were largely distinct from the molecules found in current fragment libraries. Screening about 200 natural product-based fragments led to the identification of ligands for 4 phosphatases for which inhibitor development had previously been difficult. Next steps could include optimizing inhibitors against these phosphatase targets or screening natural product-based fragment libraries against additional targets.

SciBX 6(1); doi:10.1038/scibx.2013.23
Published online Jan. 10, 2013

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Over, B. et al. Nat. Chem.; published online Dec. 2, 2012;
Contact: Herbert Waldmann, Max Planck Institute of Molecular Physiology, Dortmund, Germany