Fig. 4: Comparisons of pseudo-natural products to their parent natural product, different fusion patterns, and diastereomers.
From: Natural product fragment combination to performance-diverse pseudo-natural products
a Median biosimilarity percentages for compound sub-classes vs. CPA-active fragment-sized NP from which the PNP was derived (i.e., quinine, quinidine, or griseofulvin); the different colors indicate high (dark blue) to low (yellow) MBP values. QN-I = quinine-indoles; QN-C-S = quinine-chromanones (S)-isomer; QN-C-R = quinine-chromanones (R)-isomer; QD-I = quinidine-indoles; QN-C-S = quinidine-chromanones (S)-isomer; QN-C-R = quinidine-chromanones (R)-isomer; GF-THPI = griseofulvin-tetrahydropyranoindoles; GF-I-2 = griseofulvin-indoles isomer-2; GF-I-1 = griseofulvin-indoles isomer-1; NPs = natural products. b Dimension reduction analysis (PCA) of cell painting assay (CPA) data for the NP griseofulvin and a griseofulvin-derived PNP (GF (griseofulvin) vs GF-THPI (griseofulvin-tetrahydropyranoindoles), Expl. Var.: PC1 (45.3%), PC2 (36.7%), PC3 (10.2%)). c PCA of griseofulvin-indoles with a different fusion pattern (GF-I (griseofulvin-indoles) vs GF-THPI (griseofulvin-tetrahydropyranoindoles), Expl. Var.: PC1 (39.9%), PC2 (25.8%), PC3 (9.4%)), d, PCA for diastereomers with one different stereogenic center (QD-C-R (quinidine-chromanones (R)-isomer) vs QD-C-S (quinidine-chromanones (S)-isomer), Expl. Var.: PC1 (62.0%), PC2 (10.8%), PC3 (6.1%)). PC = principal component; Comp = component. Source data are provided as a Source Data file or in the online repository.
