Table 4.
Peptides | Target | Molecular properties† | ||||||
---|---|---|---|---|---|---|---|---|
MW | HBD | HBA | nrotb | LogP | A | Violations | ||
LIVA | IR | 414.54 | 5 | 6 | 12 | 0.51 | 111.74 | 0 |
TSEP | IR | 432.43 | 7 | 10 | 14 | -3.21 | 103.31 | 1 |
EKAI | IR | 459.54 | 7 | 7 | 16 | -1.09 | 116.22 | 1 |
LKHA | IR | 467.57 | 7 | 7 | 15 | -0.99 | 121.46 | 1 |
EALF | IR | 478.55 | 6 | 6 | 14 | 0.03 | 123.58 | 1 |
VAEK | IR/DPP-IV | 445.51 | 7 | 7 | 15 | -1.48 | 111.41 | 1 |
DFGAS | IR/SGLT1/DPP-IV | 495.48 | 8 | 8 | 15 | -3.30 | 118.13 | 1 |
EPGGGG | IR/SGLT1 | 472.45 | 7 | 10 | 18 | -3.34 | 111.79 | 1 |
GDVEC | SGLT1 | 521.55 | 9 | 9 | 16 | -3.11 | 121.41 | 2 |
DDPTG | SGLT1 | 503.47 | 8 | 9 | 17 | -4.19 | 116.53 | 2 |
PTRHM | DPP-IV/GLUT2 | 640.77 | 11 | 10 | 19 | -2.87 | 165.54 | 3 |
RRKKV | DPP-IV/GLUT2 | 685.88 | 14 | 10 | 26 | -3.22 | 181.62 | 3 |
DTDEL | DPP-IV | 591.57 | 10 | 10 | 19 | -3.42 | 135.64 | 3 |
†Molecular properties were calculated using SwissADME, an online tool. MW: molecular weight; HBD: number of hydrogen bond donors; HBA: number of hydrogen bond acceptors; nrotb: number of rotatable bonds; LogP: the logarithm of octanol/water partition coefficient; A: molar refractivity.