dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp02205

General Description

Peptide name : C7A-Δ

Source/Organism : NK-2 variants

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : KILRGVAKKIMRTFLRRILTGKK

Peptide length: 23

C-terminal modification: Linear

N-terminal modification : Amidation

Non-natural peptide information: None

Activity Information

Assay type : MTT/MTS assay

Assay time : 24h

Activity : IC50 : 13.1 ± 0.9 µM

Cell line : E42/02

Cancer type : Skin cancer

Other activity : Hemolytic activity

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 2727.4543 Dalton

Aliphatic index : 1.187

Instability index : 51.5957

Hydrophobicity (GRAVY) : -0.178

Isoelectric point : 12

Charge (pH 7) : 8.7551

Aromaticity : 0.043

Molar extinction coefficient (cysteine, cystine): (0, 0)

Hydrophobic/hydrophilic ratio : 1.09090909

hydrophobic moment : -1.130

Missing amino acid : C,W,H,Q,P,E,S,D,Y,N

Most occurring amino acid : K

Most occurring amino acid frequency : 5

Least occurring amino acid : V

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.4, 0.0, 0.4)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

Secondary Structure :

Method Prediction
GOR HHHHHHHHHHHHHHHHHHHTTCC
Chou-Fasman (CF) CEEEHHHHHEEEECEEEEECCCC
Neural Network (NN) HHHHHHHHHHHHHHHHHHHCCCC
Joint/Consensus HHHHHHHHHHHHHHHHHHHCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 23893605

Uniprot : Not available

PDB : Not available

CancerPPD : Click here

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Gross S, et al. Design of NK-2-derived peptides with improved activity against equine sarcoid cells. J Pept Sci. 2013; 19:619-28. doi: 10.1002/psc.2540

Literature

Paper title : Design of NK-2-derived peptides with improved activity against equine sarcoid cells.

Doi : https://doi.org/10.1002/psc.2540

Abstract : Equine sarcoid is a topically accessible model for the evaluation of anticancer peptides acting by physical membrane disruption avoiding the complexity of a systemic application. We aim at evaluating and improving natural peptides for host defence as lead structures, where we focus on the cationic and amphipathic peptide NK-2. Cytotoxicity tests, fluorescence microscopy and a chip-based biosensor, which enabled real-time monitoring of cell metabolism, were applied. Cancer cell killing was dynamic with an initial phase of increased cellular respiration, followed by membrane destruction. NK-2 was substantially improved and shortened. Novel peptides exhibited a fivefold improved activity against sarcoid cells, while haemolysis remained almost unaltered. Similar Zeta potential and similar amount of surface phosphatidylserine of sarcoid and normal skin cells are responsible for a lack of selectivity between these two cell types.