dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp06164

General Description

Peptide name : Stigmurin

Source/Organism : Venom gland, Yellow scorpion of the Northeast

Linear/Cyclic : Not found

Chirality : Not found

Sequence Information

Sequence : FFSLIPSLVGGLISAFK

Peptide length: 17

C-terminal modification: Not found

N-terminal modification : Amidation

Non-natural peptide information: None

Activity Information

Assay type : MTT assay

Assay time : 24h

Activity : IC50 : 118 μM

Cell line : SiHa cells

Cancer type : Cervical cancer

Other activity : Anti-bacterial activity; Anti-fungal activity

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 1796.1556 Dalton

Aliphatic index : 1.376

Instability index : 12.4706

Hydrophobicity (GRAVY) : 1.5353

Isoelectric point : 8.7501

Charge (pH 7) : 0.7591

Aromaticity : 0.176

Molar extinction coefficient (cysteine, cystine): (0, 0)

Hydrophobic/hydrophilic ratio : 3.25

hydrophobic moment : 1.3557

Missing amino acid : C,R,W,H,Q,T,M,E,D,Y,N

Most occurring amino acid : F

Most occurring amino acid frequency : 3

Least occurring amino acid : P

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.2, 0.3, 0.5)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

Secondary Structure :

Method Prediction
GOR EEEECCTEETCEEEHHH
Chou-Fasman (CF) EEEEEEEEEEEEECCCC
Neural Network (NN) CCCCCCCCCCCCEECCC
Joint/Consensus EEEECCCEECCEEECCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 25805002

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : de Melo ET, et al. Structural characterization of a novel peptide with antimicrobial activity from the venom gland of the scorpion Tityus stigmurus: Stigmurin. Peptides. 2015; 68:3-10. doi: 10.1016/j.peptides.2015.03.003

Literature

Paper title : Structural characterization of a novel peptide with antimicrobial activity from the venom gland of the scorpion Tityus stigmurus: Stigmurin.

Doi : https://doi.org/10.1016/j.peptides.2015.03.003

Abstract : A new antimicrobial peptide, herein named Stigmurin, was selected based on a transcriptomic analysis of the Brazilian yellow scorpion Tityus stigmurus venom gland, an underexplored source for toxic peptides with possible biotechnological applications. Stigmurin was investigated in silico, by circular dichroism (CD) spectroscopy, and in vitro. The CD spectra suggested that this peptide interacts with membranes, changing its conformation in the presence of an amphipathic environment, with predominance of random coil and beta-sheet structures. Stigmurin exhibited antibacterial and antifungal activity, with minimal inhibitory concentrations ranging from 8.7 to 69.5μM. It was also showed that Stigmurin is toxic against SiHa and Vero E6 cell lines. The results suggest that Stigmurin can be considered a potential anti-infective drug.