dbacp00808
General Description
Peptide name : A4K14-citropin1.1
Source/Organism : Synthetic construct
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : GLFAVIKKVASVIKGL
Peptide length: 16
C-terminal modification: Linear
N-terminal modification : Amidation
Non-natural peptide information: None
Activity Information
Assay type : CCK-8 test
Assay time : Not found
Activity : IC50 : 14.97 μM
Cell line : A549
Cancer type : Lung cancer
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 1643.0651 Dalton
Aliphatic index : 1.643
Instability index : -11.85
Hydrophobicity (GRAVY) : 1.3938
Isoelectric point : 10.302
Charge (pH 7) : 2.7571
Aromaticity : 0.062
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 3
hydrophobic moment : 0.0208
Missing amino acid : C,R,W,H,Q,T,P,M,E,D,Y,N
Most occurring amino acid : V
Most occurring amino acid frequency : 3
Least occurring amino acid : F
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.4, 0.1, 0.5)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)C(C)C)C(C)C
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHHEEEEE |
| Chou-Fasman (CF) | CEEEEECCEEEEECCC |
| Neural Network (NN) | CHHHHHHHHHHHHHCC |
| Joint/Consensus | CHHHHHHHHHHEECCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
Reference
1 : Wang N, et al. Design, Synthesis, and Antitumor Activities Study of Stapled A4K14-Citropin 1.1 Peptides. Front Chem. 2020; 8:616147. doi: 10.3389/fchem.2020.616147
Literature
Paper title : Design, Synthesis, and Antitumor Activities Study of Stapled A4K14-Citropin 1.1 Peptides.
Doi : https://doi.org/10.3389/fchem.2020.616147
Abstract : A4K14-citropin 1.1 is a structurally optimized derivative derived from amphibians' skin secreta peptide Citropin, which exhibits broad biological activities. However, the application of A4K14-citropin 1.1 as a cancer therapeutic is restricted by its structural flexibility. In this study, a series of all-hydrocarbon stapled peptides derivatives of A4K14-citropin 1.1 were designed and synthesized, and their chemical and biological characteristics were also investigated. Among them, A4K14-citropin 1.1-Sp1 and A4K14-citropin 1.1-Sp4 displayed improved helicity levels, greater protease stability, and increased antitumor activity compared with the original peptide, which establishes them as promising lead compounds for novel cancer therapeutics development. These results revealed the important influence of all-hydrocarbon stapling side chain on the secondary structure, hydrolase stability, and biological activity of A4K14-citropin 1.1.