BIOPEP-UWM: Report

ID 458
Name Dipeptidyl peptidase IV inhibitor
sequence
QMCNPVPK
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
8
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 916.1194 Monoisotopic mass 915.4292
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])(CCC(=O)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CC(=O)N)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])(CCCCN)C(=O)O

InChI=1S/C38H8N11O11S2/c1-20(2)30(37(58)49-16-7-9-26(49)34(55)44-23(38(59)60)8-4-5-14-39)47-35(56)27-10-6-15-48(27)36(57)24(18-29(42)51)45-33(54)25(19-61)46-32(53)22(13-17-62-3)43-31(52)21(40)11-12-28(41)50/h21-27,30H/t21-,22-,23-,24-,25-,26-,27-,30-/m0/s1

InChIKey=PPAQSIIVEOABPC-IIBWBHLISA-N


Bioactivity predicted by molecular docking

Predicted inhibitor of pancreatic lipase (EC 3.4.23.1) (PDB ID: 1ETH) according to the BIOPEP-UWM Virtual database (ID 385)


Database reference:
BIOPEP-UWM Virtual: ID 385