Royal Society of Chemistry, Chemical Communications, 44(51), p. 9181-9184, 2015
DOI: 10.1039/c5cc01678a
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Although a number of G-quadruplex binders and chaperones have been reported to date, the molecular mechanism of quadruplex-drug interaction has never been investigated. For instance, the interaction between the quadruplex binders and the in-pathway intermediates such as G-hairpin and G-triplex is not reported so far. To gain new insights on quadruplex-drug interactions, we captured the solution-state structures of the complexes between a drug-like small molecule and G-hairpin/G-triplex. Our results indicated that the investigated ligand initially binds to the intermediates and induces stepwise folding into a quadruplex.