dbacp02535
General Description
Peptide name : CNGRC-GG-D(KLAKLAK)3
Source/Organism : Not found
Linear/Cyclic : Linear
Chirality : Mix
Sequence Information
Sequence : CNGRCGGKLAKLAKKLAKLAK
Peptide length: 21
C-terminal modification: Linear
N-terminal modification : Not found
Non-natural peptide information: None
Activity Information
Assay type : Internalization assay, Mitochondrial swelling assay, Cell-free apoptosis assay, Caspase activation assay
Assay time : 72h
Activity : LC50 : 415 Μm
Cell line : MDA-MB-435
Cancer type : Not specified
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 2171.7191 Dalton
Aliphatic index : 0.933
Instability index : -11.971
Hydrophobicity (GRAVY) : -0.247
Isoelectric point : 10.324
Charge (pH 7) : 6.7343
Aromaticity : 0
Molar extinction coefficient (cysteine, cystine): (0, 125)
Hydrophobic/hydrophilic ratio : 1.625
hydrophobic moment : 0.4229
Missing amino acid : W,H,Q,T,P,M,I,E,F,S,D,Y,V
Most occurring amino acid : K
Most occurring amino acid frequency : 6
Least occurring amino acid : N
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.6, 0.1, 0.1)
SMILES Notation: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | TTTTTTCHHHHHHHHHHHHHH |
| Chou-Fasman (CF) | CCCCCCHHHHHHHHHHHHCCC |
| Neural Network (NN) | CCCCCCCHHHHHHHHHHHHHH |
| Joint/Consensus | CCCCCCCHHHHHHHHHHHHHH |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
CancerPPD : Not available
ApIAPDB : Not available
CancerPPD2 ID : Not available
Reference
1 : Ellerby HM, et al. Anti-cancer activity of targeted pro-apoptotic peptides. Nat Med. 1999; 5:1032-8. doi: 10.1038/12469
Literature
Paper title : Anti-cancer activity of targeted pro-apoptotic peptides.
Doi : https://doi.org/10.1038/12469
Abstract : We have designed short peptides composed of two functional domains, one a tumor blood vessel 'homing' motif and the other a programmed cell death-inducing sequence, and synthesized them by simple peptide chemistry. The 'homing' domain was designed to guide the peptide to targeted cells and allow its internalization. The pro-apoptotic domain was designed to be nontoxic outside cells, but toxic when internalized into targeted cells by the disruption of mitochondrial membranes. Although our prototypes contain only 21 and 26 residues, they were selectively toxic to angiogenic endothelial cells and showed anti-cancer activity in mice. This approach may yield new therapeutic agents.