dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp04314

General Description

Peptide name : Lunasin

Source/Organism : Soyabean

Linear/Cyclic : Not found

Chirality : D

Sequence Information

Sequence : SKWQHQQDSCRKQLQGVNLTPCEKHIMEKIQGRGDDDDDDDDD

Peptide length: 43

C-terminal modification: Not found

N-terminal modification : Paragine (N) residue

Non-natural peptide information: None

Activity Information

Assay type : MTT/MTS

Assay time : Not found

Activity : IC50 : 431.9 µM

Cell line : MCF-7

Cancer type : Not specified

Other activity : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 5028.315 Dalton

Aliphatic index : 0.430

Instability index : 48.3814

Hydrophobicity (GRAVY) : -1.762

Isoelectric point : 4.5035

Charge (pH 7) : -6.3693

Aromaticity : 0.023

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

Hydrophobic/hydrophilic ratio : 0.43333333

hydrophobic moment : 0.1417

Missing amino acid : A,F,Y

Most occurring amino acid : D

Most occurring amino acid frequency : 10

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)NCC(=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) HHHHHHCCCHHHHEEEECCCHHHHHHHHEECCCCHHHHHHCCC
Neural Network (NN) CCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCCCCCCCCCCC
Joint/Consensus HHHHHCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 36076946

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Alves de Souza SM, et al. Lunasin as a Promising Plant-Derived Peptide for Cancer Therapy. Int J Mol Sci. 2022; 23:(unknown pages). doi: 10.3390/ijms23179548

Literature

Paper title : Lunasin as a Promising Plant-Derived Peptide for Cancer Therapy.

Doi : https://doi.org/10.3390/ijms23179548

Abstract : Cancer has become one of the main public health problems worldwide, demanding the development of new therapeutic agents that can help reduce mortality. Lunasin is a soybean peptide that has emerged as an attractive option because its preventive and therapeutic actions against cancer. In this review, we evaluated available research on lunasin's structure and mechanism of action, which should be useful for the development of lunasin-based therapeutic products. We described data on its primary, secondary, tertiary, and possible quaternary structure, susceptibility to post-translational modifications, and structural stability. These characteristics are important for understanding drug activity and characterizing lunasin products. We also provided an overview of research on lunasin pharmacokinetics and safety. Studies examining lunasin's mechanisms of action against cancer were reviewed, highlighting reported activities, and known molecular partners. Finally, we briefly discussed commercially available lunasin products and potential combination therapeutics.