BIOPEP-UWM: Report

ID 398
Name Dipeptidyl peptidase IV inhibitor
sequence
HIQKEDVPSER
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
11
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1337.4346 Monoisotopic mass 1336.6714
EC50 :
0.00 µM


Bibliographic data:
Authors
Mudgil P., Gan C.-Y., Yap P.-G., Redha A. A., Reem H., Alsaadi S., Mohteshamuddin K., Aguilar-Toalá J. E., Vidal-Limon A. M., Liceaga A. M., Maqsood S.
Title
Exploring the dipeptidyl peptidase IV inhibitory potential of probiotic-fermented milk: An in vitro and in silico comprehensive investigation into peptides from milk of different farm animals. J. Dairy Sci., 107, 10153-10173, 2024
Year Source
2024 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C56H92N18O20/c1-5-28(4)44(73-45(83)30(58)22-29-24-62-26-64-29)53(91)68-32(13-16-39(59)76)47(85)65-31(10-6-7-19-57)46(84)66-34(15-18-41(79)80)49(87)70-36(23-42(81)82)50(88)72-43(27(2)3)54(92)74-21-9-12-38(74)52(90)71-37(25-75)51(89)67-33(14-17-40(77)78)48(86)69-35(55(93)94)11-8-20-63-56(60)61/h24,26-28,30-38,43-44,75H,5-23,25,57-58H2,1-4H3,(H2,59,76)(H,62,64)(H,65,85)(H,66,84)(H,67,89)(H,68,91)(H,69,86)(H,70,87)(H,71,90)(H,72,88)(H,73,83)(H,77,78)(H,79,80)(H,81,82)(H,93,94)(H4,60,61,63)/t28-,30-,31-,32-,33-,34-,35-,36-,37-,38-,43-,44-/m0/s1

InChIKey=ZVYGFUKOHQGXSX-UEKIRPJUSA-N


Bioactivity predicted by molecular docking


Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR) according to the BIOPEP-UWM Virtual database (ID 206)


Database reference:
BIOPEP-UWM Virtual: ID 206