dbacp02635
General Description
Peptide name : DC3
Source/Organism : Snake-needle grass
Linear/Cyclic : Cyclic
Chirality : Not found
Sequence Information
Sequence : GTSCGETCVLLPCLSSVLGCTCQNKRCYKD
Peptide length: 30
C-terminal modification: Cyclic
N-terminal modification : Free
Non-natural peptide information: None
Activity Information
Assay type : Colorimetric Cell viability assay,Migration assay ,Wound healing assay and Human prostate cancer xenograft assay
Assay time : Not found
Activity : Not found
Cell line : DC3
Cancer type : Prostate cancer
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 3182.7145 Dalton
Aliphatic index : 0.713
Instability index : 56.5367
Hydrophobicity (GRAVY) : 0.1233
Isoelectric point : 7.7695
Charge (pH 7) : 0.7048
Aromaticity : 0.033
Molar extinction coefficient (cysteine, cystine): (1490, 1865)
Hydrophobic/hydrophilic ratio : 1.14285714
hydrophobic moment : -0.344
Missing amino acid : W,H,M,I,F,A
Most occurring amino acid : C
Most occurring amino acid frequency : 6
Least occurring amino acid : E
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.2, 0.3, 0.3)
SMILES Notation: CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | CCTTTCEEEECCTCEEEEEECTTTTTTTTT |
| Chou-Fasman (CF) | EECCCEEEECCCEEEEEEEEECCCEECCCC |
| Neural Network (NN) | CCCCCCCEEECCCCCCCCCCCCCCCCCCCC |
| Joint/Consensus | CCCCCCEEEECCCCEEEEEECCCCCCCCCC |
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 : Not available
Reference
1 : Hu E, et al. Novel cyclotides from Hedyotis diffusa induce apoptosis and inhibit proliferation and migration of prostate cancer cells. Int J Clin Exp Med. 2015; 8:4059-65.
Literature
Paper title : Novel cyclotides from Hedyotis diffusa induce apoptosis and inhibit proliferation and migration of prostate cancer cells.
Doi : https://doi.org/Not available
Abstract : BACKGROUND: Hedyotis diffusa is a well-known herb in traditional Chinese Medicine (TCM) which is used to treat various cancers including prostate cancer. Recently, lots of cyclotides possessing anti-cancer activities were found in Hedyotis family plants, suggesting that H.diffusa may also contain these bioactive ingredients. Cyclotides are heat-stable macrocyclic peptides from plants that display a wide range of biological activities. Currently, over 250 cyclotides have been discovered. OBJECTIVE: This study tried to isolate novel cyclotides from H.diffusa and further investigate their anti-cancer activities for the prostate cancer cells in vitro and in vivo. METHODS: The novel cyclotides from H.diffusa were isolated and purified by High-performance liquid chromatography (HPLC), amino acid sequences in their primary structure were confirmed using Edman degradation and gene cloning. Colorimetric cell viability assay (CCK8 assay), wound healing assay and human prostate cancer xenograft were used to analyze their anti-prostate cancer activity in vitro and in vivo. RESULTS: Three novel cyclotides, termed as Diffusa cyclotide 1 to 3 (DC1-3) from the leaves and root of H.diffusa, were isolated firstly based on my knowledge. Using Edman degradation sequencing and gene cloning, we confirmed their amino acid sequence and obtained precursors of these peptides. By CCK8 assay, all present cyclotides showed potent cytotoxicity against all three prostate cancer cell lines, especially for DC3. In migration assay and wound healing assay, DC3 inhibited the cell migration and invasion Of LNCap cells. By model of prostate xenograft, DC3 could significantly inhibit development of the tumor in weight and size compared to the placebo. CONCLUSION: The novel cyclotides extracted from H.Diffusa have anti-cancer effects, and they are potential bioactive ingredients in H.diffusa.