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. 2015 Feb 4;68(7):453–462. doi: 10.1038/ja.2015.4

Figure 1.

Figure 1

(a) Diagrammatic representation of target amino acids Leu19, Ala20 and Val23 in close proximity to the E. coli MscL channel gate, which were used for the de novo design of the designated ligands. (b) Docking energies (kcal mol−1) of the ligands. (c) Iterative in silico docking of lead ligand 2, which gave rise to new class of antimicrobials including compounds 8–12. A full color version of this figure is available at The Journal of Antibiotics journal online.