Small molecules that bind in the minor groove of DNA block important transcription factors by modifying the three-dimensional structure of the DNA. Well-known static images of this binding lack information on the dynamic nature of the interaction between the floor of the minor groove and the small molecule binder. The dynamic nature of these biologically-relevant intermolecular interactions is reported for three target sites: the Mlu1 promoter region, the EGFR/STAT3 promoter region. These sequences are important in the progress of human cancer.Changes in the nucleic acid structural parameters upon binding will be reported as will the dynamic pattern of hydrogen bonding between these minor groove binders and their cognate DNA sequences.

Flexibility and hydrogen bond dynamics in B-DNA bound in a 2:1 motif by polyamide minor groove binders

248th National Meeting (2014)

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