BIOPEP-UWM: Report

ID 455
Name Dipeptidyl peptidase IV inhibitor
sequence
RPPPPVAM
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 864.0652 Monoisotopic mass 863.4673
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])(CCCNC(=N)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)O

InChI=1S/C39H8N11O9S/c1-22(2)30(33(53)44-23(3)31(51)45-25(38(58)59)15-21-60-4)46-32(52)26-11-6-17-47(26)35(55)28-13-8-19-49(28)37(57)29-14-9-20-50(29)36(56)27-12-7-18-48(27)34(54)24(40)10-5-16-43-39(41)42/h23-30H/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1

InChIKey=FSAUDWGHZZGAED-JEDGRRCBSA-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 383)


Database reference:
BIOPEP-UWM Virtual: ID 383