dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp07534

General Description

Peptide name : rCT-II

Source/Organism : Naja naja

Linear/Cyclic : Cyclic(C3-C21,C14-C38

Chirality : L

Sequence Information

Sequence : LKCKKLVPLFSKTCPAGKNLCYKMFMVAAPHVPVKRGCIDVCPKSSLLVKYVCCNTDKCN

Peptide length: 60

C-terminal modification: Cyclic(C3-C21,C14-C38

N-terminal modification : Free

Non-natural peptide information:

Activity Information

Assay type : MTT assay

Assay time : 24-h

Activity : IC50 = 3.66 µg/mL

Cell line : MCF-7

Cancer type : Breast Cancer

Other activity : Anticancer

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 6636.1473 Dalton

Aliphatic index : 0.843

Instability index : 36.93

Hydrophobicity (GRAVY) : 0.2017

Isoelectric point : 9.3853

Charge (pH 7) : 8.7583

Aromaticity : 6.666

Molar extinction coefficient (cysteine, cystine): (8, 4)

Hydrophobic/hydrophilic ratio : 1.5

hydrophobic moment : -0.46

Missing amino acid : E,Q,W

Most occurring amino acid : K

Most occurring amino acid frequency : 10

Least occurring amino acid : H

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (35, 24., 33.)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C

Secondary Structure :

Method Prediction
GOR HHHTTCCCETTTCCCTTTTHHHHHHHHHCCCCCCETTEEECCCTTCCEEEEEEETTTTTC
Chou-Fasman (CF) HHHHEEECCEECCCCCCCEECCCCHHHHHCEECCCEEEECCCCCEECEEEEEECCCCCCC
Neural Network (NN) HHCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCEEEEEECCCCCCC
Joint/Consensus CCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCEECCCCCCCCEEEEEECCCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 32562730.0

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID: 6547

Reference

1 : Derakhshani A, et al. Expression and characterization of a novel recombinant cytotoxin II from Naja naja oxiana venom: A potential treatment for breast cancer. Int J Biol Macromol. 2020; 162:1283-1292. doi: 10.1016/j.ijbiomac.2020.06.130

Literature

Paper title : Expression and characterization of a novel recombinant cytotoxin II from Naja naja oxiana venom: A potential treatment for breast cancer.

Doi : https://doi.org/10.1016/j.ijbiomac.2020.06.130

Abstract : Breast cancer (BC) is among the leading causes of mortality from cancer in women. Many of the available anticancer drugs have various side effects. Therefore, researchers are seeking novel anticancer agents particularly from natural compounds and in this regard, snake venom is still one of the main sources of drug discovery. Previous studies showed potential anticancer effects of Cytotoxin II (CTII) from Naja naja oxiana against the different types of cancers. In this study, a pET-SUMO-CTII vector was transformed into SHuffle® T7 Express, an Escherichia coli strain, for recombinant protein expression (rCTII) and the cytotoxic effects of this protein was assessed in MCF-7 cells. The flow cytometry assay was applied to measure the apoptosis and cell cycle. Also, mRNA levels of the Bax, Bcl2, P53, caspase-3, caspase-8, caspase-9, caspase-10, matrix metalloproteinases (MMP)-3, and MMP-9 were analyzed by quantitative real-time PCR to determine the underlying cellular pathways affected by rCTII. The results of this study showed that treatment with 4 μg mL-1 of rCTII enhanced apoptosis through the intrinsic and extrinsic pathways. Also, the increase of the cells' proportion in the sub-G1 phase as well as a reduction in S phase was observed. In addition, the expression of MMP-3 and MMP-9 was decreased in the treated group in comparison to the control group that may contribute to the reduced migratory ability of tumor cells. These experimental results indicate that rCTII has anti-proliferative potential, and so this protein could be a potential drug for BC therapy in combination with other drugs.