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
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.