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Deliberately Losing Control of C-H Activation Processes in the Design of Small-Molecule-Fragment Arrays Targeting Peroxisomal Metabolism.
Khan Tareque, Raysa; Hassell-Hart, Storm; Krojer, Tobias; Bradley, Anthony; Velupillai, Srikannathasan; Talon, Romain; Fairhead, Michael; Day, Iain J; Bala, Kamlesh; Felix, Robert; Kemmitt, Paul D; Brennan, Paul; von Delft, Frank; Díaz Sáez, Laura; Huber, Kilian; Spencer, John.
Afiliação
  • Khan Tareque R; Chemistry Deparment, University of Sussex, Falmer, East Sussex, BN1 9QJ, UK.
  • Hassell-Hart S; Chemistry Deparment, University of Sussex, Falmer, East Sussex, BN1 9QJ, UK.
  • Krojer T; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • Bradley A; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • Velupillai S; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • Talon R; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • Fairhead M; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • Day IJ; Chemistry Deparment, University of Sussex, Falmer, East Sussex, BN1 9QJ, UK.
  • Bala K; Chemistry Deparment, University of Sussex, Falmer, East Sussex, BN1 9QJ, UK.
  • Felix R; Bio-Techne (Tocris Bioscience), The Watkins Building, Atlantic Road Avonmouth, Bristol, BS11 9QD, UK.
  • Kemmitt PD; Medicinal Chemistry, Oncology R&D, AstraZeneca, Cambridge, CB10 1XL, UK.
  • Brennan P; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • von Delft F; Target Discovery Institute, Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7FZ, UK.
  • Díaz Sáez L; Structural Genomics Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Oxford, OX3 7DQ, UK.
  • Huber K; Diamond Light Source (DLS), Harwell Science and Innovation Campus, Didcot, Oxford, OX11 0DE, UK.
  • Spencer J; Department of Biochemistry, University of Johannesburg, Johannesburg, Auckland Park, 2006, South Africa.
ChemMedChem ; 15(24): 2513-2520, 2020 12 15.
Article em En | MEDLINE | ID: mdl-32812371
ABSTRACT
Combined photochemical arylation, "nuisance effect" (SN Ar) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein-ligand structure determination. Reactions were deliberately allowed to run "out of control" in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with SN Ar processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Derivados de Benzeno / Inibidores Enzimáticos / Bibliotecas de Moléculas Pequenas Limite: Humans Idioma: En Ano de publicação: 2020 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Derivados de Benzeno / Inibidores Enzimáticos / Bibliotecas de Moléculas Pequenas Limite: Humans Idioma: En Ano de publicação: 2020 Tipo de documento: Article