dbacp07414
General Description
Peptide name : Si2
Source/Organism : Synthetic
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : KL(Beta-A)KL(Beta-A)K
Peptide length: Not available
C-terminal modification: Linear
N-terminal modification : Amidation
Non-natural peptide information: β-Ala
Activity Information
Assay type : MTT assay
Assay time : 72-h
Activity : IC50 = 662.9 ± 20.02 µM
Cell line : MCF-7
Cancer type : Breast Cancer
Other activity : Antimicrobial and Anticancer
Physicochemical Properties
Amino Acid Composition Bar Chart : Not available
Molecular mass : Not available
Aliphatic index : Not available
Instability index : Not available
Hydrophobicity (GRAVY) : Not available
Isoelectric point : Not available
Charge (pH 7) : Not available
Aromaticity : Not available
Molar extinction coefficient (cysteine, cystine): Not available
Hydrophobic/hydrophilic ratio : Not available
hydrophobic moment : Not available
Missing amino acid : Not available
Most occurring amino acid : Not available
Most occurring amino acid frequency : Not available
Least occurring amino acid : Not available
Least occurring amino acid frequency : Not available
Structural Information
3D-structure: Not available
Secondary structure fraction (Helix, Turn, Sheet): Not available
SMILES Notation: Not available
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | Not available |
| Chou-Fasman (CF) | Not available |
| Neural Network (NN) | Not available |
| Joint/Consensus | Not available |
Molecular Descriptors and ADMET Properties
Molecular descriptors: Not available
ADMET properties: Not available
Cross Referencing Databases databases
Pubmed Id : 33567789.0, .
Uniprot : Not available
CancerPPD : Not available
ApIAPDB : Not available
Reference
1 : Jaber S, et al. Synthesis, Antitumor and Antibacterial Studies of New Shortened Analogues of (KLAKLAK)<sub>2</sub>-NH<sub>2</sub> and Their Conjugates Containing Unnatural Amino Acids. Molecules. 2021; 26:(unknown pages). doi: 10.3390/molecules26040898
Literature
Paper title : Synthesis, Antitumor and Antibacterial Studies of New Shortened Analogues of (KLAKLAK)<sub>2</sub>-NH<sub>2</sub> and Their Conjugates Containing Unnatural Amino Acids.
Doi : https://doi.org/10.3390/molecules26040898
Abstract : (1) Background: (KLAKLAK)<sub>2</sub> is a representative of the antimicrobial peptide group which also shows good anticancer properties. (2) Methods: Herein, we report synthesis using SPPS and characterization by HPLC/MS of a series of shortened analogues of (KLAKLAK)<sub>2</sub>. They contain single sequence KLAKLAK as C-terminal amides. In addition, substitution of some natural amino acids with unnatural β-Ala and nor-Leu is realized. In addition, these structures are conjugated with second pharmacophore with well proven anticancer properties 1,8-naphthalimide or caffeic acid. Cytotoxicity, antiproliferative effect and antimicrobial activity of newly synthesized structures were studied. (3) Results: The obtained experimental results reveal significant selective index for substances with common chemical structure KLβAKLβAK-NH<sub>2</sub>. The antibacterial properties of newly synthesized analogues at two different concentrations 10 μM and 20 μM, were tested against Gram-negative microorganisms Escherichia coli K12 407. Only two of the studied compounds KLAKLAK-NH<sub>2</sub> and the one conjugated with second pharmacophore 1,8-naphthalimide and unnatural amino acid nor-Leu showed moderate activity against tested strains at concentration of 20 μM. (4) Conclusions: The obtained results reveal that the introducing of 1,8-naphthalimideGly- and Caf- increase the cytotoxicity and antiproliferative activity of the peptides but not their selectivity. Only two compounds KLAKLAK-NH<sub>2</sub> and 1,8-naphthalimideGKnLAKnLAK-NH<sub>2</sub> show moderate activity against Escherichia coli K12 at low concentration of 20μM.