dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp07005

General Description

Peptide name : Rapeseed peptide

Source/Organism : extracted from rapeseed protein

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : NDGNQPL

Peptide length: 7

C-terminal modification: Linear

N-terminal modification : Free

Non-natural peptide information:

Activity Information

Assay type : Apoptosis assay

Assay time :

Activity : 28.39 ± 0.80% apoptosis rate at 0.5 mmol/L

Cell line : HepG-2

Cancer type : Liver Cancer

Other activity : Anticancer

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 756.7612 Dalton

Aliphatic index : 0.557

Instability index : 13.1857

Hydrophobicity (GRAVY) : -1.742

Isoelectric point : 4.05

Charge (pH 7) : -1.2388

Aromaticity : 0

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

Hydrophobic/hydrophilic ratio : 0.75

hydrophobic moment : -1.088

Missing amino acid : A,C,E,F,H,I,K,M,R,S,T,V,W,Y

Most occurring amino acid : N

Most occurring amino acid frequency : 2

Least occurring amino acid : D

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (14., 71., 14.)

SMILES Notation: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

Secondary Structure :

Method Prediction
GOR CTTCCCC
Chou-Fasman (CF) CCCCCCC
Neural Network (NN) CCCCCCC
Joint/Consensus CCCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 36168817.0

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID: 7577

Reference

1 : Ma K, et al. Rapeseed peptide inhibits HepG2 cell proliferation by regulating the mitochondrial and P53 signaling pathways. J Sci Food Agric. 2023; 103:1474-1483. doi: 10.1002/jsfa.12243

Literature

Paper title : Rapeseed peptide inhibits HepG2 cell proliferation by regulating the mitochondrial and P53 signaling pathways.

Doi : https://doi.org/10.1002/jsfa.12243

Abstract : BACKGROUND: Rapeseed peptide, extracted from rapeseed protein, is known to have a variety of biological activities. In this study, the anti-proliferation effect and molecular mechanism of rapeseed peptide on HepG2 cells were investigated. RESULTS: In vitro anticancer experiments showed that the rapeseed peptide NDGNQPL could inhibit HepG2 cell proliferation in a concentration-dependent manner [half maximal inhibitory concentration (IC<sub>50</sub> ), 1.56 mmol L-1 ). HepG2 cells were induced by NDGNQPL at a 0.5 mmol L-1 concentration and exhibited a 28.39 ± 0.80% apoptosis rate and a cell cycle arrest in the G0/G1 phase. Meanwhile, rapeseed peptide induced a decrease in mitochondrial membrane potential, an increase in reactive oxygen species (ROS) release, and changes in the nuclear morphology of HepG2 cells, indicating that rapeseed peptide could induce cell apoptosis through the mitochondrial pathway. In addition, rapeseed peptide activated the proliferation-related P53 signaling pathway, in which the expression levels of P53, P21, and cleaved-caspase3 were up-regulated, while the expression levels of murine double minute 2 (MDM2) were down-regulated. In molecular docking simulations, NDGNQPL exhibited a good affinity for the MDM2 molecule, which supported the notion that the rapeseed peptide is able to inhibit MDM2, a negative regulator of P53. CONCLUSION: The current results indicate that the rapeseed-derived NDGNQPL peptide has the potential to inhibit the proliferation of HepG2 cells and promote human health. © 2022 Society of Chemical Industry.