BIOPEP-UWM: Report

ID 59
Name Antiviral peptide
sequence
QKW

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7)
 
Number of residues
3
Activity code
avi
Activity :
antiviral
Chemical mass 460.5254 Monoisotopic mass 460.2427
EC50 :
0.00 µM



Bibliographic data:
Authors
Behzadipour Y., Gholampour M., Pirhadi S., Seradj H., Khoshneviszadeh M., Hemmati S.
Title
Viral 3CLpro as a target for antiviral intervention using milk‑derived bioactive peptides. Int. J. Pept. Res. Therapeut., 27, 2703–2716, 2021
Year Source
2021 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI= 1S/C22H32N6O5/c23-10-4-3-7-17(27-20(30)15(24)8-9-19(25)29)21(31)28-18(22(32)33)11-13-12-26-16-6-2-1-5-14(13)16/h1-2,5-6,12,15,17-18,26H,3-4,7-11,23-24H2,(H2,25,29)(H,27,30)(H,28,31)(H,32,33)/t15-,17-,18-/m0/s1

InChIKey=AMHIFFIUJOJEKJ-SZMVWBNQSA-N


Bioactivity predicted using molecular docking


Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9166)
Inhibitor of angiotensin-converting enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database



Database reference:
AHTPDB: ID 2281

BioPepDB: biopep01149

BIOPEP-UWM database of bioactive peptides: ID 9166

ChEBI: ID 162330

PubChem: CID 145455146

SATPdb: ID satpdb27479