dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp07880

General Description

Peptide name : Nubein6.8

Source/Organism : Naja nubiae

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : LKCNQLIPPFWKTCPKGKNLCYKMTMRAAPMVPVKRGCIDVCPKSSLLIKYMCCNTDKCN

Peptide length: 60

C-terminal modification: Linear

N-terminal modification : Free

Non-natural peptide information:

Activity Information

Assay type : MTT assay

Assay time : 24-h

Activity : EC50 = 1.249 ± 0.06 μM

Cell line : A-2780

Cancer type : Ovarian Cancer

Other activity : Anticancer

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 6827.3788 Dalton

Aliphatic index : 0.698

Instability index : 38.5883

Hydrophobicity (GRAVY) : -0.118

Isoelectric point : 9.4098

Charge (pH 7) : 8.6721

Aromaticity : 6.666

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

Hydrophobic/hydrophilic ratio : 1.4

hydrophobic moment : -0.577

Missing amino acid : E,H

Most occurring amino acid : K

Most occurring amino acid frequency : 9

Least occurring amino acid : Q

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (33., 26., 30)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[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](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](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](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)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

Secondary Structure :

Method Prediction
GOR HTTTTCCCCTCTCCTTTTTHHHHHHHHHCCCCCCCTTEEECCCTTCCEEEEEETTTTTTC
Chou-Fasman (CF) CCCEECCCCEECCCCCCCEECCHHHHHHHCEECCCEEEECCCCCEECEECCCCCCCCCCC
Neural Network (NN) CCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCCC
Joint/Consensus CCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCEECCCCCCCCEEEEECCCCCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 31233771.0

Uniprot : Not available

PDB : 1CXN

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID: 6221

Reference

1 : Abdel-Ghani LM, et al. Cytotoxicity of Nubein6.8 peptide isolated from the snake venom of Naja nubiae on melanoma and ovarian carcinoma cell lines. Toxicon. 2019; 168:22-31. doi: 10.1016/j.toxicon.2019.06.220

Literature

Paper title : Cytotoxicity of Nubein6.8 peptide isolated from the snake venom of Naja nubiae on melanoma and ovarian carcinoma cell lines.

Doi : https://doi.org/10.1016/j.toxicon.2019.06.220

Abstract : This study was conducted to examine the cytotoxic effects of Nubein6.8 isolated from the venom of the Egyptian Spitting Cobra Naja nubiae on melanoma (A375) and ovarian carcinoma cell lines and to reveal its mode of action. The size of Nubein6.8 (6801.8 Da) and its N-terminal sequence are similar to cytotoxins purified from the venom of other spitting cobras. Nubein6.8 showed a high significant cytotoxic effect on A375 cell line and moderate effect on A2780. A clonogenic assay showed that Nubein6.8 has a significant long-term potency on A375 cell survival when compared to A2780. The molecular intracellular signaling pathways of Nubein6.8 have been investigated using Western blotting analysis, flow cytometry, and microscale protein labeling. This data revealed that Nubein6.8 has DNA damaging effects and the ability to activate apoptosis in both tumor cell lines. Cellular uptake recordings revealed that the labeled-Nubein6.8 was intracellularly present in A375 cells while A2780 displayed resistance against it. SEM examination showed that Nubein6.8 was found to have high accessibility to malignant melanoma cells. The apoptotic effect of Nubein6.8 was confirmed by TEM examination that revealed many evident characteristics for Nubein6.8 apoptotic efficacy on A375 cell sections. Also, TEM reflected many resistant characteristics that faced Nubein6.8 acquisition through ovarian carcinoma cell sections. Accordingly, the snake venom peptide of Nubein6.8 is a promising template for developing potential cytotoxic agents targeting human melanoma and ovarian carcinoma.