Cation Involvement in Telomestatin Binding to G-Quadruplex DNA

Figure 4

Optimized geometries (DFT B3LYP, 6-31G(d,p)) of the telomestatin—cation complexes (side view) for (a) NH⁺⁴, (b) K⁺, and (c) Na⁺, and optimized geometries of the telomestatin—cation—G-quartet complexes (top view and side view) for (d) NH⁺⁴, (e) K⁺, and (f) Na⁺. Telomestatin is shown in yellow, the cation is shown in purple, and the G-quartet is colored by elements.

(a)

(b)

(c)

(d)

(e)

(f)