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- W1933707156 abstract "NMR has become an essential tool for modern drug discovery within academic and industry settings, and informs multiple levels of the design process. A particularly information-rich method, NMR can be used to identify small drug-like ligands that bind with a wide range of affinities to any pocket of small or large structural domains of target proteins. The binding modes and sites can be elucidated rapidly in solution, providing complementary insights to co-crystal structures. Here, we present three illustrative case studies: kinase, phosphatase, and GTPase targets that are represented by Ras, Abl, and PTP1B. Together, they demonstrate successful approaches for lead generation, and reveal the potential of NMR for discovery of novel agents for additional targets within these superfamilies of proteins. New approaches for designing ligands that are specific for individual conformational states under physiological conditions are discussed, providing avenues for future expansion of the burgeoning field of NMR-based ligand discovery.Keywords:NMR;drug discovery;fragment;screening;kinase;phosphatase;GTPase" @default.
- W1933707156 created "2016-06-24" @default.
- W1933707156 creator A5024607047 @default.
- W1933707156 creator A5025099665 @default.
- W1933707156 creator A5075026058 @default.
- W1933707156 date "2015-06-14" @default.
- W1933707156 modified "2023-09-25" @default.
- W1933707156 title "Structure-based Drug Design Using NMR" @default.
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- W1933707156 doi "https://doi.org/10.1002/9780470034590.emrstm1430" @default.
- W1933707156 hasPublicationYear "2015" @default.
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