BIOPEP-UWM: Report

ID 442
Name Dipeptidyl peptidase IV inhibitor
sequence
PKLLHPVPQESSF
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
13
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1478.6861 Monoisotopic mass 1477.7904
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: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C69H107N17O19/c1-37(2)29-46(78-58(93)43(17-10-11-25-70)75-57(92)42-18-12-26-73-42)61(96)79-47(30-38(3)4)62(97)80-48(32-41-33-72-36-74-41)67(102)85-27-13-20-53(85)66(101)84-56(39(5)6)68(103)86-28-14-19-52(86)65(100)77-44(21-23-54(71)89)59(94)76-45(22-24-55(90)91)60(95)82-51(35-88)64(99)83-50(34-87)63(98)81-49(69(104)105)31-40-15-8-7-9-16-40/h7-9,15-16,33,36-39,42-53,56,73,87-88H,10-14,17-32,34-35,70H2,1-6H3,(H2,71,89)(H,72,74)(H,75,92)(H,76,94)(H,77,100)(H,78,93)(H,79,96)(H,80,97)(H,81,98)(H,82,95)(H,83,99)(H,84,101)(H,90,91)(H,104,105)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1

InChIKey=TZPIYZDDBWLKEL-CCZXRIQSSA-N


Bioactivity predicted by molecular docking


Database reference: