Table 1.
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 |