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. Author manuscript; available in PMC: 2015 Aug 7.
Published in final edited form as: J Antibiot (Tokyo). 2015 Feb 4;68(7):453–462. doi: 10.1038/ja.2015.4

Fig. 1.

Fig. 1

(a) Diagrammatic representation of target amino acids Leu 19, Ala 20 and Val 23 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) of the ligands. (c) Iterative in silico docking of lead ligand 2, which gave rise to new class of antimicrobials including compounds 8–12.