BIOPEP-UWM: Report

ID 400
Name Dipeptidyl peptidase IV inhibitor
sequence
PIGSENSEKTTMPLW
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
15
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1689.8799 Monoisotopic mass 1688.8052
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])([C@]([H])(CC)C)C(=O)NCC(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCSC)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C74H116N18O25S/c1-8-37(4)58(89-61(103)43-18-13-26-77-43)70(112)79-33-55(98)80-51(34-93)67(109)82-46(21-23-57(101)102)63(105)85-49(31-54(76)97)66(108)88-52(35-94)68(110)83-45(20-22-56(99)100)62(104)81-44(17-11-12-25-75)64(106)90-60(39(6)96)72(114)91-59(38(5)95)71(113)84-47(24-28-118-7)73(115)92-27-14-19-53(92)69(111)86-48(29-36(2)3)65(107)87-50(74(116)117)30-40-32-78-42-16-10-9-15-41(40)42/h9-10,15-16,32,36-39,43-53,58-60,77-78,93-96H,8,11-14,17-31,33-35,75H2,1-7H3,(H2,76,97)(H,79,112)(H,80,98)(H,81,104)(H,82,109)(H,83,110)(H,84,113)(H,85,105)(H,86,111)(H,87,107)(H,88,108)(H,89,103)(H,90,106)(H,91,114)(H,99,100)(H,101,102)(H,116,117)/t37-,38+,39+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,58-,59-,60-/m0/s1

InChIKey=HFWCMFZNUZWNDO-OXIMSURBSA-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 349)


Database reference:
BIOPEP-UWM Virtual: ID 349