Skip to main content
. 2021 Oct 19;43(6):1605–1615. doi: 10.1038/s41401-021-00779-1

Fig. 3. Cytotoxicity and key residues in DprE1 for the binding of sulfonamide series compounds.

Fig. 3

a Cytotoxicity tests of compound B2 and H3. The cytotoxicities of compound B2 and H3 were measured on mouse embryo fibroblast NIH-3T3 cells. b The 10 top-ranked residues in DprE1 responsible for the binding of B2 predicted by MM/GBSA. c The structural analysis of the key residues to the binding of B2. d The thermal shift melt curves for DprE1 with compound B2a. e The energy differences between B2 and B2a. f Alignment of the representative structures of B2 (orange) and B2a (cyan) bound to DprE1. The residues that form stronger interaction with B2 than with B2a are highlighted.