BIOPEP-UWM: Report

ID 399
Name Dipeptidyl peptidase IV inhibitor
sequence
IPNPIGSENSEKTTMPLW
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
18
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 2014.2544 Monoisotopic mass 2012.9844
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)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)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/C89H140N22O29S/c1-10-44(5)69(93)88(138)111-33-18-23-62(111)81(131)103-57(38-65(92)117)87(137)110-32-17-24-63(110)82(132)106-70(45(6)11-2)83(133)95-40-66(118)96-59(41-112)78(128)98-53(26-28-68(121)122)74(124)101-56(37-64(91)116)77(127)105-60(42-113)79(129)99-52(25-27-67(119)120)73(123)97-51(21-14-15-30-90)75(125)107-72(47(8)115)85(135)108-71(46(7)114)84(134)100-54(29-34-141-9)86(136)109-31-16-22-61(109)80(130)102-55(35-43(3)4)76(126)104-58(89(139)140)36-48-39-94-50-20-13-12-19-49(48)50/h12-13,19-20,39,43-47,51-63,69-72,94,112-115H,10-11,14-18,21-38,40-42,90,93H2,1-9H3,(H2,91,116)(H2,92,117)(H,95,133)(H,96,118)(H,97,123)(H,98,128)(H,99,129)(H,100,134)(H,101,124)(H,102,130)(H,103,131)(H,104,126)(H,105,127)(H,106,132)(H,107,125)(H,108,135)(H,119,120)(H,121,122)(H,139,140)/t44-,45-,46+,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-,72-/m0/s1

InChIKey=NPLAYQSNAILJQG-UFRCZNCTSA-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 348)


Database reference:
BIOPEP-UWM Virtual: ID 348