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Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode

Meyers, Marvin J. ; Pelc, Matthew ; Kamtekar, Satwik ; Day, Jacqueline ; Poda, Gennadiy I. ; Hall, Molly K. ; Michener, Marshall L. ; Reitz, Beverly A. ; Mathis, Karl J. ; Pierce, Betsy S. ; Parikh, Mihir D. ; Mischke, Deborah A. ; Long, Scott A. ; Parlow, John J. ; Anderson, David R. ; Thorarensen, Atli

Bioorganic & medicinal chemistry letters, 2010-03, Vol.20 (5), p.1543-1547 [Periódico revisado por pares]

Amsterdam: Elsevier Ltd

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Título:
Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Autor: Meyers, Marvin J. ; Pelc, Matthew ; Kamtekar, Satwik ; Day, Jacqueline ; Poda, Gennadiy I. ; Hall, Molly K. ; Michener, Marshall L. ; Reitz, Beverly A. ; Mathis, Karl J. ; Pierce, Betsy S. ; Parikh, Mihir D. ; Mischke, Deborah A. ; Long, Scott A. ; Parlow, John J. ; Anderson, David R. ; Thorarensen, Atli
Assuntos: Antineoplastic agents ; BASIC BIOLOGICAL SCIENCES ; Binding Sites ; Biological and medical sciences ; BIOLOGY ; Bones, joints and connective tissue. Antiinflammatory agents ; cFMS ; CHEMISTRY ; Crystallography, X-Ray ; CSF-1R ; DESIGN ; DFG-in ; DFG-out ; Drug Design ; GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE ; General aspects ; High-Throughput Screening Assays ; Hydrogen Bonding ; Kinase ; Medical sciences ; Molecular Conformation ; Pharmacology. Drug treatments ; PHOSPHOTRANSFERASES ; Protein Binding ; Protein Kinase Inhibitors - chemical synthesis ; Protein Kinase Inhibitors - chemistry ; Protein Kinase Inhibitors - pharmacology ; Receptor, Macrophage Colony-Stimulating Factor - antagonists & inhibitors ; Receptor, Macrophage Colony-Stimulating Factor - metabolism ; Structure-based drug design
É parte de: Bioorganic & medicinal chemistry letters, 2010-03, Vol.20 (5), p.1543-1547
Notas: ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
USDOE
Descrição: The work described herein demonstrates the utility of structure-based drug design (SBDD) in shifting the binding mode of an HTS hit from a DFG-in to a DFG-out binding mode resulting in a class of novel potent CSF-1R kinase inhibitors suitable for lead development.
Editor: Amsterdam: Elsevier Ltd
Idioma: Inglês

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Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode

Amsterdam: Elsevier Ltd

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