dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp06532

General Description

Peptide name : VS-9

Source/Organism : Plant sources

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : VKLRSLLCS

Peptide length: 9

C-terminal modification: Linear

N-terminal modification : Not found

Non-natural peptide information: None

Activity Information

Assay type : MTT assay

Assay time : 4h

Activity : Not found

Cell line : MOLT4

Cancer type : Leukemia

Other activity : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 1018.2746 Dalton

Aliphatic index : 1.622

Instability index : 66.4778

Hydrophobicity (GRAVY) : 0.9

Isoelectric point : 9.5063

Charge (pH 7) : 1.7231

Aromaticity : 0

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

Hydrophobic/hydrophilic ratio : 1.25

hydrophobic moment : -0.461

Missing amino acid : W,H,Q,T,P,M,I,E,F,D,Y,N,A,G

Most occurring amino acid : L

Most occurring amino acid frequency : 3

Least occurring amino acid : V

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.4, 0.2, 0.4)

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

Secondary Structure :

Method Prediction
GOR HHEEEEEET
Chou-Fasman (CF) HHHHEECCC
Neural Network (NN) HHHHHHHCC
Joint/Consensus HHHHEECCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 33595876

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Rasaratnam K, et al. A novel peptide isolated from garlic shows anticancer effect against leukemic cell lines via interaction with Bcl-2 family proteins. Chem Biol Drug Des. 2021; 97:1017-1028. doi: 10.1111/cbdd.13831

Literature

Paper title : A novel peptide isolated from garlic shows anticancer effect against leukemic cell lines via interaction with Bcl-2 family proteins.

Doi : https://doi.org/10.1111/cbdd.13831

Abstract : Leukemia is a group of cancer caused by the abnormal proliferation and differentiation of hematopoietic stem cells. Efforts geared toward effective therapeutic strategies with minimal side effects are underway. Peptides derived from natural resources have recently gained special attention as alternative chemotherapeutic agents due to their minimal adverse effects. In the present study, the aim was to isolate peptides from garlic (Allium sativum) and investigate their anticancer activity against leukemic cell lines. The protein extract of A. sativum was pepsin-digested to obtain protein hydrolysate followed by sequential purification methods. A novel anticancer peptide, VKLRSLLCS (VS-9), was identified and characterized by mass spectrometric analysis. The peptide was demonstrated to significantly inhibit the cell proliferation of MOLT-4 and K562 leukemic cell lines while exhibiting minimal inhibition against normal PBMC. Particularly, VS-9 could induce apoptosis and upregulate mRNA levels of caspase 3, caspase 8, caspase 9, and Bax while downregulating Bcl-2, Bcl-xL, and Bcl-w. Molecular docking of VS-9 with the anti-apoptotic Bcl-2 protein family suggested that VS-9 could bind the binding groove of the BH3 domain on target proteins. Protein-peptide interaction analysis by affinity chromatography and LC-MS/MS further showed that VS-9 could bind Bcl-2 proteins. Results suggest VS-9 as a potential garlic-derived novel anticancer peptide possessing apoptosis-inducing properties against leukemic cell lines via anti-apoptotic Bcl-2 protein family.