dbacp06533
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 : K562
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
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.