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. Author manuscript; available in PMC: 2021 Nov 26.
Published in final edited form as: Chem Commun (Camb). 2020 Nov 26;56(94):14744–14756. doi: 10.1039/d0cc06796b

Figure 4. RNA-targeted BIoactive LigaNd Database (R-BIND) reveals distinct properties of RNA-targeted small molecules.

Figure 4.

A. Principle component analysis of R-BIND small molecules (blue), nucleic acid ligand database (NALDB) RNA-binding small molecules (orange), FDA-approved drugs (gray), R-BIND multivalent ligands (green), NALDB multivalent ligands (yellow) based on 20 cheminformatic parameters showing that R-BIND small molecules represent a subset of traditional medicinal chemistry (FDA) space. B. Box-whisker plots of representative parameters showing structural differences between RNA-targeted bioactives (R-BIND SM), protein-targeted bioactivites (FDA), and general RNA ligands (NALDB). Panel A,B reproduced from Ref. 35 with permission from John Wiley and Sons. C. Schematic of nearest neighbor analysis where the distance between R-BIND small molecules (black) and input ligands is measured using cheminformatic parameters. The distance between each R-BIND small molecule and its nearest neighbor is averaged (purple) and “R-BIND like ligands” (blue) are defined as those within the average distance to at least one R-BIND ligand. Reprinted with permission from Ref. 36. Copyright 2019 American Chemical Society.