Table 2.
Recently reported potential binding sites of DPP-IV inhibitory peptides based on molecular docking analysis.
| No. | Sequences | Potential Binding Sites | Protein Data Bank (PDB) Code | Software | Ref. |
|---|---|---|---|---|---|
| 1 | Trp-Ser-Gly | Lys122, Trp124, Arg125, Trp201, Glu205, Tyr547, Trp629, Ser630, Tyr631, Tyr662, Tyr666, Asp709, Asn710, Asp739, His740, Gly741 | 2AJB | Molegro Virtual Docker v.6.0.0 software | [46] |
| 2 | Phe-Ser-Asp | Arg125, Glu205, Glu206, Ser209, Phe357, Arg358, Tyr547, Trp629, Ser630, Tyr631, Tyr662, Tyr666, His740 | |||
| 3 | Ile-Ala-Val-Pro-Thr-Gly-Val-Ala | Glu205, Glu206, Ser209, Arg358, | 4PNZ | VEGA | [78] |
| 4 | Leu-Thr-Phe-Pro-Gly-Ser-Ala-Glu-Asp | Glu205, Glu206, Arg125, Arg356, Arg358, Arg429, Tyr547, Trp629, His740 | |||
| 5 | Ala-Pro | Thr94, Phe95, Asp104, Try105 | 2QT9 | Discovery Studio 4.5 Auto Dock 4.2.6 |
[39] |
| 6 | Ile-Pro-Ala | Glu91, Asn92, Ser93, Thr94, Phe95, Asp96, Ser101, Ile102 | |||
| 7 | Phe-Ala-Gly-Asp-Asp-Ala-Pro-Arg | Arg125, Phe357, Arg358, Lys554 | 1WCY | Discovery Studio 4.0 | [32] |
| 8 | Leu-Ala-Pro-Ser-Thr-Met | Arg125, Glu205, Ser209, Tyr662, Ser630, Tyr666 | |||
| 9 | Phe-Ala-Gly-Asp-Asp-Ala-Pro-Arg-Ala | Ser209, Tyr547, Tyr585 | |||
| 10 | Phe-Leu-Met-Glu-Ser-His | Arg125, Arg358 | |||
| 11 | Ala-Glu-Trp-Leu-His-Asp-Trp-Lys-Leu | Tyr48, Tyr547, Trp627, Trp629, Tyr631, Tyr666, Tyr752 | 4A5S | Pepsite2 software | [77] |
| 12 | Ala-Val-Val-Ser-Pro-Leu-Lys-Pro-Cys-Cys | Tyr547, Val653, Trp627, Trp629, Tyr631, Tyr666, Ile752, Tyr752, Met755 | |||
| 13 | Cys-Phe-Leu-Pro-Leu-Pro-Leu-Leu-Lys | Phe357, Tyr547, Tyr585, Trp629, Tyr631, Tyr666, Tyr670, Tyr752 | |||
| 14 | Asp-Asn-Leu-Met-Pro-Gln-Phe-Met | Glu206, Ser209, Phe357, Pro550, Tyr547, Trp629, Ser630, Tyr631, Tyr666, Tyr670 | |||
| 15 | Phe-Cys-Leu-Pro-Leu-Pro-Leu-Leu-Lys | Tyr48, Phe357, Tyr547, Trp627, Trp629, Tyr631, Tyr666, Tyr670, Tyr752 | |||
| 16 | Phe-Met-Phe-Phe-Gly-Pro-Gln | Phe357, Tyr547, Pro550, Trp627, Trp629, Tyr666, Tyr670, Tyr752 | |||
| 17 | Gly-Met-Ala-Gly-Gly-Pro-Pro-Leu-Leu | Phe357, Tyr547, Pro550, Trp629, Tyr666, Tyr670, His740, Gly741, Tyr752 | |||
| 18 | His-Cys-Pro-Val-Pro-Asp-Pro-Val-Arg-Gly-Leu | Tyr48, Phe357, Tyr547, Cys551, Trp627, Ser630, Tyr631, Val653, Tyr666, Gly741, His748, Tyr752 | |||
| 19 | Lys-Phe-Gln-Trp-Gly-Tyr | Tyr547, Trp627, Ser630, Val653, Tyr666, Tyr752 | |||
| 20 | Leu-Leu-Pro-Ala-Pro-Pro-Leu-Leu | Phe357, Val546, Tyr547, Trp627, Trp629, Ser630, Tyr666, Tyr752 | |||
| 21 | Leu-Thr-Met-Pro-Gln-Trp-Trp | Tyr48, Trp627, Trp629, Ser630, Val653, Ile703, His740, Ile742, Tyr752, Met755 | |||
| 22 | Met-Met-His-Asp-Phe-Leu-Thr-Leu-Cys-Met | Tyr48, Phe357, Val546, Tyr547, Cys551, Tyr585, Trp627, Ser630, Tyr631, Tyr666, Tyr752 | |||
| 23 | Met-Ser-Lys-Phe-Leu-Pro-Leu-Pro-Leu-Met-Phe-Tyr | Tyr48, Phe357, Tyr547, Tyr585, Trp627, Trp629, Tyr666, Tyr670, Gly741, Tyr752 | |||
| 24 | Ser-Gln-Asp-Trp-Ser-Phe-Tyr | Ser209, Phe357, Tyr547, Pro550, Tyr585, Tyr631, Tyr666, Tyr670 | |||
| 25 | Trp-Gly-Leu-Trp-Asp-Asp-Met-Gln-Gly-Leu | Tyr48, Tyr547, Trp627, Trp629, Tyr631, Tyr666, His740, His748, Tyr752 | |||
| 26 | Trp-Asn-Trp-Gly-Trp-Leu-Leu-Trp-Gln-Leu | Tyr48, Glu205, Glu206, Phe357, Tyr547, Trp627, Trp629, Tyr631, Val653, Tyr666, Ile703, Ile742, His748, Ile751, Tyr752, Met755 | |||
| 27 | Tyr-Trp-Tyr-Pro-Pro-Lys | Tyr48, Trp627, Trp629, Gly741, His748, Tyr752 | |||
| 28 | Tyr-Trp-Tyr-Pro-Pro-Gln | Phe357, Tyr547, Pro550, Tyr631, Tyr666, Tyr670 | |||
| 29 | Thr-Leu-Met-Pro-Gln-Trp-Trp | Tep48, Val546, Trp627, Gly628, Trp629, Ser630, His748, Tyr752 | |||
| 30 | Met-Pro-Ser-Lys-Pro-Pro-Leu-Leu | Tyr48, Phe357, Tyr547, Trp627, Trp629, Tyr631, Tyr666, His748, Tyr752 | |||
| 31 | Ala-Val-Val-Ser-Pro-Leu-Lys-Pro-Cys-Cys | Tyr547, Trp627, Trp629, Tyr631, Val653, Tyr666, Ile703, Ile742, Ile751, Tyr752, Met755 | |||
| 32 | Ala-Pro-Ala | Arg125, Glu205, Glu206, Tyr662 | 1ORW | Sybyl software 8.1 | [79] |
| 33 | Ala-Pro-Phe | Arg125 | |||
| 34 | Ala-Pro-Arg | Arg125, Glu205, Glu206, Ser630, Tyr662 | |||
| 35 | Ile-Pro-Ala | Arg125, Glu205, Glu206, Tyr662 | |||
| 36 | Lys-Pro-Ala | Arg125, Glu205, Glu206, Tyr662 | |||
| 37 | Phe-Pro-Phe | Arg125, Glu205, Glu206 | |||
| 38 | Phe-Pro-Ile | Arg125, Glu205, Glu206, Tyr662 | |||
| 39 | Phe-Pro-Trp | Arg125, Glu205, Glu206, Tyr662 | |||
| 40 | Ile-Pro-Phe | Arg125, Glu205, Glu206, Ser630, Tyr662 | |||
| 41 | Ile-Pro-Trp | Arg125, Glu205, Glu206, Tyr662 | |||
| 42 | Trp-Pro-Phe | Arg125, Glu205, Glu206, Tyr662 | |||
| 43 | Trp-Pro-Ile | Arg125, Glu205, Glu206, Tyr662 | |||
| 44 | Trp-Pro-Trp | Arg125, Glu205, Glu206, Tyr662 | |||
| 45 | Tyr-Pro-D-Ala-NH2 * | Glu205, Glu206, Tyr547, Ser630, His740, Asp708 | 5I7U | MVD v. 6.0.1. | [80] |
| 46 | Ala-Lys-Ser-Pro-Leu-Phe | Glu191, Asp192, Leu235, Arg253 | 3W2T | Docking Server | [30] |
| 47 | Gln-Thr-Pro-Phe | Asp192, Thr251, Arg253, Val252, Val254 | |||
| 48 | Phe-Glu-Glu-Leu-Asn | Glu191, Asp192, Pro249 | |||
| 49 | Leu-Ser-Lys-Ser-Val-Leu | Asp192, Glu237, Lys250, Thr251, Arg253 | |||
| 50 | Leu-Gln-Ala-Phe-Glu-Pro-Leu-Arg | Phe357, Arg429, Tyr456, Asp556, Tyr585, Trp629, Ser630, Tyr662, His740 | 1X70 | Auto Dock Vina | [81] |
| 51 | Glu-Phe-Leu-Leu-Ala-Gly-Asn-Asn-Lys | Arg125, Ser209, Arg358, Arg429, Tyr456, Tyr547, Tyr585, Trp629, Ser630, His740 |
* Not derived from food.