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Fragment-based ligand design

Fragment-Based Ligand Design Puzzling Approaches to Drug Discovery.126... [Pg.125]

Aronov, A. M. and Bemis, G. W., A minimalist approach to fragment-based ligand design using common rings and linkers application to kinase inhibitors. Proteins, 2004, 57, 36-50. [Pg.95]

T, H and Nordlund, P, (2013) Fragment-based ligand design of novel potent inhibitors of tankyrases. Journal of Medicinal Chemistry, 56 (11), 4497-4508. [Pg.422]

Key words Fragment-based drug design, fragment screening, ligand efficiency, NMR, X-ray... [Pg.241]

SAR-by-NMR represents a very intuitive way of rational, fragment-based drug design. Two or more independently optimized ligands of different binding sites are combined to give a high-affmity binder. The example presented here deals with the development of a selective inhibitor for the protein tyrosine phosphatase IB (PTPlB).6i... [Pg.282]

R270 J. J. Ziarek, F. C. Peterson, B. L. Lytle and B. F. Volkman, Binding Site Identification and Structure Determination of Protein-Ligand Complexes by NMR A Semiautomated Approach , in Methods in Enzymology, ed. L. Kuo, Elsevier Inc., 2011, Vol. 493, Fragment-Based Drug Design Tools, Practical Approaches, and Examples, p. 241. [Pg.41]

Recently, fragment based drug design (FBDD) has emerged as a popular structure based approach to lead discovery. Despite the success of FBDD for myriad proteins, the thermodynamic basis for its success remains elusive. Using stromelysin-1 (MMP-3) as a model system and two previously described ligands, we have characterized extensively the thermodynamic principles of additivity and cooperativity in the context of FBDD. The results of these studies and their implications for drug discovery will be discussed. [Pg.21]

Boehm H-J. Fragment-based de novo ligand design. Proceedings of the Alfred Benzon Symposium No. 39,1996. p. 402-13. [Pg.48]


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Base fragments

Design Bases

Design ligand-based

Fragment-based

Ligand design

Ligand fragments

Ligand-based

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