BIOPEP-UWM: Report

ID 440
Name Dipeptidyl peptidase IV inhibitor
sequence
DVPKTKETIIPK
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
12
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1368.6136 Monoisotopic mass 1367.7998
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])(CC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C62H109N15O19/c1-9-33(5)47(57(90)73-48(34(6)10-2)61(94)77-30-18-23-43(77)56(89)70-41(62(95)96)21-13-16-28-65)72-59(92)50(36(8)79)75-54(87)40(24-25-44(80)81)67-52(85)38(19-11-14-26-63)69-58(91)49(35(7)78)74-53(86)39(20-12-15-27-64)68-55(88)42-22-17-29-76(42)60(93)46(32(3)4)71-51(84)37(66)31-45(82)83/h32-43,46-50,78-79H,9-31,63-66H2,1-8H3,(H,67,85)(H,68,88)(H,69,91)(H,70,89)(H,71,84)(H,72,92)(H,73,90)(H,74,86)(H,75,87)(H,80,81)(H,82,83)(H,95,96)/t33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,46-,47-,48-,49-,50-/m0/s1

InChIKey=NZSAGJPRPOMYMB-XAILSMPGSA-N


Bioactivity predicted by molecular docking


Database reference: