dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp06941

General Description

Peptide name : PS14

Source/Organism : Aphanomyces invadans

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : PTECQVGTTCKVES

Peptide length: 14

C-terminal modification: Linear

N-terminal modification : Free

Non-natural peptide information:

Activity Information

Assay type : MTT assay

Assay time : 24-h

Activity : IC50 = 21 µM

Cell line : Hep-2

Cancer type : Larynx Cancer

Other activity : Anticancer and Anti-inflammatory

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 1481.6481 Dalton

Aliphatic index : 0.414

Instability index : 39.2214

Hydrophobicity (GRAVY) : -0.421

Isoelectric point : 4.532

Charge (pH 7) : -1.0567

Aromaticity : 0

Molar extinction coefficient (cysteine, cystine): (2, 1)

Hydrophobic/hydrophilic ratio : 0.75

hydrophobic moment : -0.020

Missing amino acid : A,D,F,H,I,L,M,N,R,W,Y

Most occurring amino acid : T

Most occurring amino acid frequency : 3

Least occurring amino acid : P

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (21., 21., 35.)

SMILES Notation: CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

Secondary Structure :

Method Prediction
GOR CCTEETTCCEEETT
Chou-Fasman (CF) CCCEEEEEECCCCC
Neural Network (NN) CCCCCCCCCCCCCC
Joint/Consensus CCCEECCCCCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 36364155.0

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID: 7055

Reference

1 : Velayutham M, et al. Anti-Cancer and Anti-Inflammatory Activities of a Short Molecule, PS14 Derived from the Virulent Cellulose Binding Domain of Aphanomyces invadans, on Human Laryngeal Epithelial Cells and an In Vivo Zebrafish Embryo Model. Molecules. 2022; 27:(unknown pages). doi: 10.3390/molecules27217333

Literature

Paper title : Anti-Cancer and Anti-Inflammatory Activities of a Short Molecule, PS14 Derived from the Virulent Cellulose Binding Domain of Aphanomyces invadans, on Human Laryngeal Epithelial Cells and an In Vivo Zebrafish Embryo Model.

Doi : https://doi.org/10.3390/molecules27217333

Abstract : In this study, the anti-cancer and anti-inflammatory activities of PS14, a short peptide derived from the cellulase binding domain of pathogenic fungus, Aphanomyces invadans, have been evaluated, in vitro and in vivo. Bioinformatics analysis of PS14 revealed the physicochemical properties and the web-based predictions, which indicate that PS14 is non-toxic, and it has the potential to elicit anti-cancer and anti-inflammatory activities. These in silico results were experimentally validated through in vitro (L6 or Hep-2 cells) and in vivo (zebrafish embryo or larvae) models. Experimental results showed that PS14 is non-toxic in L6 cells and the zebrafish embryo, and it elicits an antitumor effect Hep-2 cells and zebrafish embryos. Anticancer activity assays, in terms of MTT, trypan blue and LDH assays, showed a dose-dependent inhibitory effect on cell proliferation. Moreover, in the epithelial cancer cells and zebrafish embryos, the peptide challenge (i) caused significant changes in the cytomorphology and induced apoptosis; (ii) triggered ROS generation; and (iii) showed a significant up-regulation of anti-cancer genes including BAX, Caspase 3, Caspase 9 and down-regulation of Bcl-2, in vitro. The anti-inflammatory activity of PS14 was observed in the cell-free in vitro assays for the inhibition of proteinase and lipoxygenase, and heat-induced hemolysis and hypotonicity-induced hemolysis. Together, this study has identified that PS14 has anti-cancer and anti-inflammatory activities, while being non-toxic, in vitro and in vivo. Future experiments can focus on the clinical or pharmacodynamics aspects of PS14.