Download (3249Kb) - D-Scholarship@Pitt - University of Pittsburgh

List of Figures
Figure 3.1 Stereoviews of the energy minimized models of 154a and 155a................................ 56
Figure 3.2 Stereoview of the X-ray crystal structure of 156a with diene and amide torsional
angles. ........................................................................................................................................... 57
Figure 3.3 Energy-minimized model of 163a with potential hydrogen bonds labeled in green. . 62
Figure 3.4 Examples of natural products containing an azepine ring........................................... 75
Figure 4.1 Two different stereoviews (top and bottom) of the energy-minimized model of 308n.
..................................................................................................................................................... 120
Figure 4.2 Distribution for physico-chemical parameters: molecular weight (A), log of the
octanol/water partition coefficient (logP) (B), number of hydrogen donor bonds (HBD) (C), sum
of nitrogen and oxygen atoms (D) and for the number of rotatable bonds (E) and the hydrophilic
component of the solvent accessible surface area (FISA) (F); calculated for the 178 pyrroles
314{1-3,1-2,1-41} using QikProp 2.1 (reproduced with permission from Dr. Stefan Werner). 125
Figure 4.3 List of assays performed on the tricyclic pyrroles 314{1-3,1-2,1-41}...................... 126
Figure 4.4 Structures of bioactive tricyclic pyrroles................................................................... 127
xii