Literature DB >> 16263285

Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure.

Nancy H Campbell1, David A Evans, Michael P H Lee, Gary N Parkinson, Stephen Neidle.   

Abstract

The crystal structure of the DNA minor groove biphenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 Angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined.

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Year:  2005        PMID： 16263285     DOI： 10.1016/j.bmcl.2005.10.036

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  4 in total

1.  Structure-dependent binding of arylimidamides to the DNA minor groove.

Authors:  Yun Chai; Manoj Munde; Arvind Kumar; Leah Mickelson; Sen Lin; Nancy H Campbell; Moloy Banerjee; Senol Akay; Zongying Liu; Abdelbasset A Farahat; Raja Nhili; Sabine Depauw; Marie-Hélène David-Cordonnier; Stephen Neidle; W David Wilson; David W Boykin
Journal:  Chembiochem       Date:  2013-12-09       Impact factor: 3.164

2.  A role for water molecules in DNA-ligand minor groove recognition.

Authors:  Binh Nguyen; Stephen Neidle; W David Wilson
Journal:  Acc Chem Res       Date:  2009-01-20       Impact factor: 22.384

3.  Bound Compound, Interfacial Water, and Phenyl Ring Rotation Dynamics of a Compound in the DNA Minor Groove.

Authors:  Narinder K Harika; W David Wilson
Journal:  Biochemistry       Date:  2018-08-09       Impact factor: 3.162

4.  Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography.

Authors:  Pradeep K Mandal; Gavin W Collie; Suresh C Srivastava; Brice Kauffmann; Ivan Huc
Journal:  Nucleic Acids Res       Date:  2016-05-02       Impact factor: 16.971
  4 in total

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