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Ranking ligand affinity for the DNA minor groove by experiment and simulation.
Wittayanarakul, Kitiyaporn; Anthony, Nahoum G; Treesuwan, Witcha; Hannongbua, Supa; Alniss, Hasan; Khalaf, Abedawn I; Suckling, Colin J; Parkinson, John A; Mackay, Simon P.
Afiliación
  • Wittayanarakul K; Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 27 Taylor Street, Glasgow G4 0NR, United Kingdom.
  • Anthony NG; Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 27 Taylor Street, Glasgow G4 0NR, United Kingdom.
  • Treesuwan W; Chemistry Department and Center of Nanotechnology, Kasetsart University, Bangkok 10900, Thailand.
  • Hannongbua S; Chemistry Department and Center of Nanotechnology, Kasetsart University, Bangkok 10900, Thailand.
  • Alniss H; Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 27 Taylor Street, Glasgow G4 0NR, United Kingdom.
  • Khalaf AI; WestCHEM Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, United Kingdom.
  • Suckling CJ; WestCHEM Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, United Kingdom.
  • Parkinson JA; WestCHEM Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, United Kingdom.
  • Mackay SP; Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 27 Taylor Street, Glasgow G4 0NR, United Kingdom.
ACS Med Chem Lett ; 1(8): 376-80, 2010 Nov 11.
Article en En | MEDLINE | ID: mdl-24900221
The structural and thermodynamic basis for the strength and selectivity of the interactions of minor groove binders (MGBs) with DNA is not fully understood. In 2003, we reported the first example of a thiazole-containing MGB that bound in a phase-shifted pattern that spanned six base pairs rather than the usual four (for tricyclic distamycin-like compounds). Since then, using DNA footprinting, NMR spectroscopy, isothermal titration calorimetry, and molecular dynamics, we have established that the flanking bases around the central four being read by the ligand have subtle effects on recognition. We have investigated the effect of these flanking sequences on binding and the reasons for the differences and established a computational method to rank ligand affinity against varying DNA sequences.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Med Chem Lett Año: 2010 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Med Chem Lett Año: 2010 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos