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. 2024 Jan 25;9(5):5463–5484. doi: 10.1021/acsomega.3c07149

Table 3. Best Glide-XP Scores for TZD and RD Dockings on Different PPAR-γ Crystal Structures Together with Pioglitazone as a Reference Ligand.

molecule PPAR-γ crystal structure (PDB ID) Glide-XP score (kcal/mol)
TZDs
TZD # 7a 1I7I –6.02
TZD # 7b 1WM0 –8.00
TZD # 14 1ZGY –8.86
TZD # 21 1WM0 –8.82
TZD # 29 1I7I –9.70
RDs
RD # 33g 1WM0 –9.60
RD # 33c 1WM0 –7.03
RD # 33f 1WM0 –7.10
Reference
pioglitazone 1ZGY –9.25