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. Author manuscript; available in PMC: 2015 Jan 9.
Published in final edited form as: J Med Chem. 2013 Dec 24;57(1):171–190. doi: 10.1021/jm401577c

Figure 1.

Figure 1

Molecular modeling. (A) Proposed model of the alignment of enantiomers 1 and ent-1 at the neursosteroid modulation site on GABAA receptors. (B) Proposed model of the alignment of compounds 4 and ent-1 at the same site. Aligments were obtained by superimposing O-3, C-3, C-13 and C-18 for each pair of compounds. Additional views of the superimpositions from different perspectives are presented in the Supplemental Materials along with a view showing the superimposition of steroid 5 and analogue ent-9 (Figure S1).