Figure 3 | Scientific Reports

Figure 3

From: Common Pharmacophore of Structurally Distinct Small-Molecule Inhibitors of Intracellular Retrograde Trafficking of Ribosome Inactivating Proteins

Figure 3

Local minimum conformations of structurally distinct RIP inhibitors derived at the HF/6-31G(d) level and their superimpositions.

A (upper left): (S)-Retro-2cycl and (R)-Retro-2cycl; B (upper middle): (S)-Retro-2cycl, (R)-Retro-2cycl and DA2MT; C (upper right): DA2MT, (S)-Retro-1 and Cpd 75; D (lower panel): local minimum conformations of (S)-Retro-2cycl, (R)-Retro-2cycl, DA2MT, (S)-Retro-1 and Cpd 75 in sphere model. For clarity, all H atoms except for those at the chiral centers are undisplayed in the superimposed structures. The Br, S, O, N and H atoms are colored in dark red, dark yellow, red, blue and white, respectively. The C atoms in (S)-Retro-2cycl, (R)-Retro-2cycl, DA2MT, Cpd 75 and (S)-Retro-1 are in green, magenta, cyan, orange and yellow, respectively.

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