BIOPEP-UWM: Report

ID 43
Name Antiviral peptide
sequence
EQRPR
Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6M03 and 6LU7) and SARS-CoV-2 spike protein (PDB ID: 6VXX)
 
Number of residues
5
Activity code
avi
Activity :
antiviral
Chemical mass 684.7431 Monoisotopic mass 684.3657
EC50 :
0.00 µM


Bibliographic data:
Authors
Gasymov O., Celik S., Agaeva G., Akyuz S., Kecel-Gunduz S., Qocayev N. M., Ozel A. E. et al.
Title
Evaluation of anti-cancer and anti-covid-19 properties of cationic pentapeptide Glu-Gln-Arg-Pro-Arg, from rice bran protein and its D-isomer analogs through molecular docking simulations. J. Mol. Graph. Model., 108, 107999, 2021
Year Source
2021 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C27H48N12O9/c28-14(7-10-20(41)42)21(43)36-15(8-9-19(29)40)22(44)37-16(4-1-11-34-26(30)31)24(46)39-13-3-6-18(39)23(45)38-17(25(47)48)5-2-12-35-27(32)33/h14-18H,1-13,28H2,(H2,29,40)(H,36,43)(H,37,44)(H,38,45)(H,41,42)(H,47,48)(H4,30,31,34)(H4,32,33,35)/t14-,15-,16-,17-,18-/m0/s1

InChIKey=ITLWNWQWNMPUDO-ATIWLJMLSA-N


Bioactivity predicted using molecular docking


DNA and integrin binding peptide according to the BIOPEP-UWM Virtual database (ID 36)
Inhibitor of Angiotensin 2-converting enzyme (EC 3.4.17.23) (MEROPS ID: M02.006) according to the BIOPEP-UWM Virtual database (ID 52)

Anticancer peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8252)


Database reference:
BIOPEP-UWM database of bioactive peptides: ID 8252

BIOPEP-UWM Virtual: ID 36; 52

J-GLOBAL: ID 201707015869560502

Nikkaji: ID J3.575.569A

PubChem: CID 53242192