BIOPEP-UWM: Report

ID 401
Name Dipeptidyl peptidase IV inhibitor
sequence
IGSENSEKTTMPLW
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
14
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1592.7650 Monoisotopic mass 1591.7526
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])([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/C69H109N17O24S/c1-8-34(4)54(72)65(105)74-30-51(92)75-47(31-87)62(102)77-42(19-21-53(95)96)58(98)80-45(28-50(71)91)61(101)83-48(32-88)63(103)78-41(18-20-52(93)94)57(97)76-40(16-11-12-23-70)59(99)84-56(36(6)90)67(107)85-55(35(5)89)66(106)79-43(22-25-111-7)68(108)86-24-13-17-49(86)64(104)81-44(26-33(2)3)60(100)82-46(69(109)110)27-37-29-73-39-15-10-9-14-38(37)39/h9-10,14-15,29,33-36,40-49,54-56,73,87-90H,8,11-13,16-28,30-32,70,72H2,1-7H3,(H2,71,91)(H,74,105)(H,75,92)(H,76,97)(H,77,102)(H,78,103)(H,79,106)(H,80,98)(H,81,104)(H,82,100)(H,83,101)(H,84,99)(H,85,107)(H,93,94)(H,95,96)(H,109,110)/t34-,35+,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-,56-/m0/s1

InChIKey=XTSSNODHNDYFPY-FZGDCZEYSA-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 350)


Database reference:
BIOPEP-UWM Virtual: ID 350