BIOPEP-UWM: Report

ID 154
Name DPPIV inhibitor
sequence
PPPVHDFNME
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 5I7U)
 
Number of residues
10
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1182.3032 Monoisotopic mass 1181.5158
EC50 :
0.00 µM


Bibliographic data:
Authors
Wenhui T., Shumin H., Yongliang Z., Liping S., Hua Y.
Title
Identification of in vitro angiotensin-converting enzyme and dipeptidyl peptidase IV inhibitory peptides from draft beer by virtual screening and molecular docking. J. Sci. Food Agric., 102, 1085-1094, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: 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](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C53H75N13O16S/c1-28(2)43(64-49(77)38-13-8-19-65(38)52(80)39-14-9-20-66(39)51(79)32-12-7-18-56-32)50(78)63-35(23-30-26-55-27-57-30)46(74)62-37(25-42(70)71)48(76)60-34(22-29-10-5-4-6-11-29)45(73)61-36(24-40(54)67)47(75)58-31(17-21-83-3)44(72)59-33(53(81)82)15-16-41(68)69/h4-6,10-11,26-28,31-39,43,56H,7-9,12-25H2,1-3H3,(H2,54,67)(H,55,57)(H,58,75)(H,59,72)(H,60,76)(H,61,73)(H,62,74)(H,63,78)(H,64,77)(H,68,69)(H,70,71)(H,81,82)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,43-/m0/s1

InChIKey=BNTWBBHJWDSMIQ-GIDOTETESA-N


Bioactivity predicted by molecular docking


Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 1O86) according to the BIOPEP-UWM Virtual database


Database reference:
BIOPEP-UWM Virtual database: ID 151