dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp08024

General Description

Peptide name : Peptide6 Gonearrestide

Source/Organism : Androctonus australis

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : KLSAIISKIRDE

Peptide length: 12

C-terminal modification: Linear

N-terminal modification : Free

Non-natural peptide information:

Activity Information

Assay type : MTT assay

Assay time : 24-h

Activity : Not Available

Cell line : DLD-1

Cancer type : Colon Cancer

Other activity : Anticancer

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 1372.6099 Dalton

Aliphatic index : 1.383

Instability index : -4.9833

Hydrophobicity (GRAVY) : -0.15

Isoelectric point : 8.5904

Charge (pH 7) : 0.7673

Aromaticity : 0

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

Hydrophobic/hydrophilic ratio : 0.7143

hydrophobic moment : -0.399

Missing amino acid : C,F,G,H,M,N,P,Q,T,V,W,Y

Most occurring amino acid : I

Most occurring amino acid frequency : 3

Least occurring amino acid : L

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (41., 25, 33.)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)CC

Secondary Structure :

Method Prediction
GOR HHHHHHHHHHHH
Chou-Fasman (CF) CEEEEEECCCCC
Neural Network (NN) CCCCEECCCCCC
Joint/Consensus CCCCEECCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 29993185.0

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID: 5935

Reference

1 : Li B, et al. Triggering of cancer cell cycle arrest by a novel scorpion venom-derived peptide-Gonearrestide. J Cell Mol Med. 2018; 22:4460-4473. doi: 10.1111/jcmm.13745

Literature

Paper title : Triggering of cancer cell cycle arrest by a novel scorpion venom-derived peptide-Gonearrestide.

Doi : https://doi.org/10.1111/jcmm.13745

Abstract : In this study, a novel scorpion venom-derived peptide named Gonearrestide was identified in an in-house constructed scorpion venom library through a combination of high-throughput NGS transcriptome and MS/MS proteome platform. In total, 238 novel peptides were discovered from two scorpion species; and 22 peptides were selected for further study after a battery of functional prediction analysis. Following a series of bioinformatics analysis alongside with in vitro biological functional screenings, Gonearrestide was found to be a highly potent anticancer peptide which acts on a broad spectrum of human cancer cells while causing few if any observed cytotoxic effects on epithelial cells and erythrocytes. We further investigated the precise anticancer mechanism of Gonearrestide by focusing on its effects on the colorectal cancer cell line, HCT116. NGS RNA sequencing was employed to obtain full gene expression profiles in HCT116 cells, cultured in the presence and absence of Gonearrestide, to dissect signalling pathway differences. Taken together the in vitro, in vivo and ex vivo validation studies, it was proven that Gonearrestide could inhibit the growth of primary colon cancer cells and solid tumours by triggering cell cycle arrest in G1 phase through inhibition of cyclin-dependent kinases 4 (CDK4) and up-regulate the expression of cell cycle regulators/inhibitors-cyclin D3, p27, and p21. Furthermore, prediction of signalling pathways and potential binding sites used by Gonearrestide are also presented in this study.