Fig. 5: Identification and validation of ligands against FEN1. | Nature Communications

Fig. 5: Identification and validation of ligands against FEN1.

From: Barcode-free hit discovery from massive libraries enabled by automated small molecule structure annotation

Fig. 5: Identification and validation of ligands against FEN1.

a SEL 4 was screened against immobilized FEN1. In the affinity selection against FEN1, two clear hits were identified. The chromatograms show extracted ion counts using a 5 ppm accuracy of their corresponding masses in the FEN1 sample and bead-only control, demonstrating their selective enrichment. MS/MS fragmentation could be assigned to four compounds that were selected for resynthesis. b Resynthesized compounds were tested for inhibition against FEN1 in a fluorescence polarization based DNA resection assay. c Docking studies on 6 and 7 show the coordination of the N-hydroxyurea BB to the magnesium ions and hydrophobic interactions of the Leucine/Cyclohexyl building blocks with Met37 and Tyr40. Source data are provided as a Source Data file.

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