Figure 45.
Graphical representation of the binding modes of 170 (A) and 171 (B) into the active site of E. coli PDHc-E1 displayed in ribbon. Ligands and residues are depicted by stick, while the hydrogen and coordination bonds are shown with dashed lines (green). Reproduced with permission from Bioorganic & Medicinal Chemistry (https://www.sciencedirect.com/journal/bioorganic-and-medicinal-chemistry), Volume 22, pp 3180–3186, He, J. B.; Ren, Y. L.; Sun, Q. S.; You, G. Y.; Zhang, L.; Zou, P.; Feng, L. L.; Wan, J.; He, H. W., Design, synthesis and molecular docking of amide and urea derivatives as Escherichia coli PDHc-E1 inhibitors.222 Copyright 2014 Elsevier.