Figure 3 : Solution-based screen and chemoinformatic analysis of the hit compounds.

From: Identifying the preferred RNA motifs and chemotypes that interact by probing millions of combinations

Figure 3

(a) Solution-based screen identifies small molecules that bind 13. Top, the structures of the top eight ligands identified. Bottom, data for screening the entire library for binding 1. A '% Fluorescence' of 100% indicates that the compound does not displace TO-PRO-1, whereas '% Fluorescence' below 100% indicates that the small molecule binds the RNA and displaces TO-PRO-1. (b) Chemoinformatic analysis of the hit compounds. Top left, two-dimensional plot of the Tanimoto scores for each small molecule as compared with every library member. Top, right, a close-up view of the plot to the left for the top eight hit compounds. Bottom, results of common scaffold analysis of the top eight hit ligands reveals features in chemical space that facilitate RNA binding.