BIOPEP-UWM: Report

ID 393
Name Dipeptidyl peptidase IV inhibitor
sequence
YQEPVLGPVRGPFPIIV
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
17
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1881.2151 Monoisotopic mass 1880.0527
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=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C(C)C)C(=O)O

InChI=1S/C91H141N21O22/c1-13-52(11)74(87(130)108-75(53(12)14-2)86(129)106-73(51(9)10)90(133)134)107-83(126)66-29-22-42-112(66)89(132)62(45-54-23-16-15-17-24-54)103-80(123)63-26-19-39-109(63)68(115)46-97-77(120)58(25-18-38-96-91(94)95)100-84(127)71(49(5)6)104-81(124)64-27-20-40-110(64)69(116)47-98-78(121)61(43-48(3)4)102-85(128)72(50(7)8)105-82(125)65-28-21-41-111(65)88(131)60(35-37-70(117)118)101-79(122)59(34-36-67(93)114)99-76(119)57(92)44-55-30-32-56(113)33-31-55/h15-17,23-24,30-33,48-53,57-66,71-75,113H,13-14,18-22,25-29,34-47,92H2,1-12H3,(H2,93,114)(H,97,120)(H,98,121)(H,99,119)(H,100,127)(H,101,122)(H,102,128)(H,103,123)(H,104,124)(H,105,125)(H,106,129)(H,107,126)(H,108,130)(H,117,118)(H,133,134)(H4,94,95,96)/t52-,53-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-,75-/m0/s1

InChIKey=SSIOTIXYEMBPGK-ZZQCOUFISA-N


Bioactivity predicted by molecular docking


Immunomodulating peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8174)
Inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database, the MBPDB database
Anticancer peptide according to the MBPDB database
Antibacterial peptide according to the MBPDB database
Antithrombotic peptie according to the MBPDB database

Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 221)


Database reference:
AHTPDB: ID 3627, 3637, 5551, 6067

BIOPEP-UWM database of bioactive peptides: ID 8174

BIOPEP-UWM database of sensory peptides and amino acids: ID 221

EROP-Moscow: ID E09182

MBPDB: Peptide YQEPVLGPVRGPFPIIV

MilkAMP: ID CAB0007

Peptipedia: ID 757

SATPdb: ID satpdb24545