Research Article
Molecular Modeling Studies of Thiophenyl C-Aryl Glucoside SGLT2 Inhibitors as Potential Antidiabetic Agents
Table 1
Structure and biological activity of thiophenyl derivatives hSGLT2 inhibitors.
| | S. number | X | R | IC50 | pIC50 |
| 1 | Cl | | 86.5 | 7.0629 | 2 | Cl | | 34.6 | 7.4609 | 3* | Cl | | 140 | 6.8538 | 4 | Cl | | 65.0 | 7.1870 | 5 | Cl | | 54.6 | 7.2628 | 6* | Cl | | 111 | 6.9546 | 7 | Cl | | 94 | 7.0268 | 8 | Cl | | 115 | 6.9393 | 9 | Cl | | 70.7 | 7.1505 | 10* | Cl | | 12.8 | 7.8927 | 11 | Cl | | 48.4 | 7.3151 | 12 | Cl | | 11.9 | 7.9244 | 13 | Cl | | 57.2 | 7.2426 | 14* | Cl | | 162 | 6.7904 | 15 | Cl | | 60.2 | 7.2204 | 16 | Cl | | 4.47 | 8.3496 | 17 | Cl | | 10.3 | 7.9871 | 18 | Cl | | 91.3 | 7.0395 | 19* | H | | 11.5 | 7.9393 | 20 | H | | 8.73 | 8.0589 | 21 | H | | 50.2 | 7.2992 | 22* | H | | 27.5 | 7.5606 | 23 | H | | 21.1 | 7.6757 | 24 | H | | 71.4 | 7.1463 | 25* | H | | 68.9 | 7.1617 | 26 | H | | 451 | 6.3458 | 27 | H | | 88.3 | 7.0540 | 28 | H | | 69.6 | 7.1573 | 29* | H | | 24.8 | 7.6055 | 30 | H | | 59.8 | 7.2232 | 31 | Br | | 12.4 | 7.9065 | 32 | OMe | | 49.5 | 7.3053 | 33* | Me | | 29.3 | 7.5331 |
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Structures with (*) are included in test set validation.
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