dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp04309

General Description

Peptide name : Lunasin

Source/Organism : Plant sources

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : SKWQHQQDSCRKQLQGVNLTPCEKHIMEKIQGRDDDDDDDDDD

Peptide length: 43

C-terminal modification: Linear

N-terminal modification : Not found

Non-natural peptide information: None

Activity Information

Assay type : MTT assay

Assay time : 1h

Activity : IC50 : 161.0 ± 2.4 μM

Cell line : HCT116-derived spheres

Cancer type : Colorectal cancer

Other activity : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 5086.3511 Dalton

Aliphatic index : 0.430

Instability index : 50.3558

Hydrophobicity (GRAVY) : -1.834

Isoelectric point : 4.3979

Charge (pH 7) : -7.3682

Aromaticity : 0.023

Molar extinction coefficient (cysteine, cystine): (5500, 5625)

Hydrophobic/hydrophilic ratio : 0.38709677

hydrophobic moment : 0.1056

Missing amino acid : A,F,Y

Most occurring amino acid : D

Most occurring amino acid frequency : 11

Least occurring amino acid : W

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.2, 0.4, 0.1)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

Secondary Structure :

Method Prediction
GOR HHHHHTTHHHHHTETCCTCCHHHHHHHHHHHCCCCCCCCCCTT
Chou-Fasman (CF) HHHHHHCCCHHHHEEEECCCHHHHHHHHEECCHHHHHHHHCCC
Neural Network (NN) CCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCC
Joint/Consensus HHHHHCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 31947688

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Fernández-Tomé S, et al. Inhibitory Effects of Peptide Lunasin in Colorectal Cancer HCT-116 Cells and Their Tumorsphere-Derived Subpopulation. Int J Mol Sci. 2020; 21:(unknown pages). doi: 10.3390/ijms21020537

Literature

Paper title : Inhibitory Effects of Peptide Lunasin in Colorectal Cancer HCT-116 Cells and Their Tumorsphere-Derived Subpopulation.

Doi : https://doi.org/10.3390/ijms21020537

Abstract : The involvement of cancer stem-like cells (CSC) in the tumor pathogenesis has profound implications for cancer therapy and chemoprevention. Lunasin is a bioactive peptide from soybean and other vegetal sources with proven protective activities against cancer and other chronic diseases. The present study focused on the cytotoxic effect of peptide lunasin in colorectal cancer HCT-116 cells, both the bulk tumor and the CSC subpopulations. Lunasin inhibited the proliferation and the tumorsphere-forming capacity of HCT-116 cells. Flow cytometry results demonstrated that the inhibitory effects were related to apoptosis induction and cell cycle-arrest at G1 phase. Moreover, lunasin caused an increase in the sub-GO/G1 phase of bulk tumor cells, linked to the apoptotic events found. Immunoblotting analysis further showed that lunasin induced apoptosis through activation of caspase-3 and cleavage of PARP, and could modulate cell cycle progress through the cyclin-dependent kinase inhibitor p21. Together, these results provide new evidence on the chemopreventive activity of peptide lunasin on colorectal cancer by modulating both the parental and the tumorsphere-derived subsets of HCT-116 cells.