Table 1 Results of molecular Docking of dagliflozin-core targets.
From: Dapagliflozin inhibits ferroptosis and ameliorates renal fibrosis in diabetic C57BL/6J mice
Number | Receptor | Ligands | Vina score | Center (x, y, z) | Docking size (x, y, z) |
|---|---|---|---|---|---|
1 | CASP3 | dagliflozin | -6.6 | -1, 122, 112 | 23, 23, 23 |
2 | ESR1 | dagliflozin | -7.5 | 13, 50, 25 | 24, 24, 24 |
3 | MTOR | dagliflozin | -7.9 | 13, 4, 58 | 23, 23, 23 |
4 | NFE2L2 | dagliflozin | -9.0 | -2, 5, 18 | 35, 35, 33 |
5 | PTSG2 | dagliflozin | -9.6 | 46, 36, 204 | 30, 35, 23 |
6 | RELA | dagliflozin | -8.8 | 42, -13, 13 | 23, 23, 23 |
7 | SRC | dagliflozin | -9.4 | 18, 25, 57 | 23, 23, 23 |
8 | STAT3 | dagliflozin | -7.8 | 5, 32, 20 | 23, 23, 23 |
9 | TNF | dagliflozin | -6.8 | 2, 30, -11 | 23, 23, 23 |
10 | TP53 | dagliflozin | -6.5 | 30, 32, 110 | 23, 23, 23 |
