“One Ring to Bind Them All”—Part I: The Efficiency of the Macrocyclic Scaffold for G-Quadruplex DNA Recognition

Figure 14

Structure of 𝐁𝐎𝐐_𝟏 (a), side (b), and front views (c) of the lowest-energy conformation during the molecular dynamic simulation (see [39]) and modelled interaction between 𝐁𝐎𝐐_𝟏 and the human telomeric quadruplex ((d), see [205]); guanine residues appear in gold; the carbon, nitrogen, oxygen, and hydrogen atoms appear in grey, blue, red, and white, respectively.