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. 2021 Nov 11;26(22):6812. doi: 10.3390/molecules26226812

Table 1.

Glide score and glide energy of 3 novel compounds with 1-IRK and PPAR-γ proteins.

Compound Receptor Docking Score (kcal/mol) Docking Energy (kcal/mol) H-Bond
Novel compound 1 1-IRK −10.57 −106.28 SER 1090
ALA 1080
Novel compound 2 1-IRK −10.36 −98.84 GLN 1004
PHE 1151
Novel compound 3 1-IRK −10.21 −98.01 ALA 1080
PHE 1151
ASP 1083
Novel compound 1 PPAR-γ −10.81 −103.72 GLN 283
Novel compound 2 PPAR-γ −10.46 −95.40 ASP 260
SER 342
Novel compound 3 PPAR-γ −10.01 −96.62 ASP 260
GLU 343