dbacp07560
General Description
Peptide name : macrocyclic pyridoheptapeptide derivative 2b
Source/Organism : Synthetic
Linear/Cyclic : Cyclic
Chirality : L
Sequence Information
Sequence : Structure given in Scheme 1
Peptide length: Not available
C-terminal modification: Cyclic
N-terminal modification : Cyclized
Non-natural peptide information: ester derivatives
Activity Information
Assay type : MTT assay
Assay time : 72-h
Activity : IC50 = 18.681 ± 0.988 μM
Cell line : HepG-2
Cancer type : Liver Cancer
Other activity : 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 : 32164321.0, .
Uniprot : Not available
CancerPPD : Not available
ApIAPDB : Not available
Reference
1 : Abo-Ghalia MH, et al. Anticancer Activities of Newly Synthesized Chiral Macrocyclic Heptapeptide Candidates. Molecules. 2020; 25:(unknown pages). doi: 10.3390/molecules25051253
Literature
Paper title : Anticancer Activities of Newly Synthesized Chiral Macrocyclic Heptapeptide Candidates.
Doi : https://doi.org/10.3390/molecules25051253
Abstract : As important cancer therapeutic agents, macrocyclic peptides have recently drawn great attention, mainly because they are synthetically accessible and have lower toxicity towards normal cells. In the present work, we synthesized newly macrocyclic pyridoheptapeptide derivatives. The synthesized derivatives were characterized using standard chemical and spectroscopic analytical techniques, and their anticancer activities against human breast and hepatocellular cancer cells were investigated. Results showed that compounds 1a and 1b were the most effective against hepatocellular (HepG2) and breast (MCF-7) cancer cell lines, respectively.