Peptide name : Test peptide

Source/Organism : Neuropep Peptide

Linear/Cyclic : Linear

Chirality : L

Peptide length: 5

C-terminal modification: Linear

N-terminal modification : Amidation

Non-natural peptide information:

Assay type : MTT assay

Assay time : 48 h

Activity : IC50 = 26.417±0.660 µM

Cell line : A-549

Cancer type : Lung Cancer

Other activity : Anti cancer

Amino acid composition bar chart :

Molecular mass : 585.6485 Dalton

Aliphatic index : 0.78

Instability index : 8

Hydrophobicity (GRAVY) : 0.82

Isoelectric point : 5.5243

Charge (pH 7) : -0.2409

Aromaticity : 40

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

Hydrophobic/hydrophilic ratio : 1.5

hydrophobic moment : -0.216

Missing amino acid : A,C,D,E,H,I,K,M,N,P,Q,R,T,V,W

Most occurring amino acid : Y

Most occurring amino acid frequency : 1

Least occurring amino acid : Y

Least occurring amino acid frequency : 1

Secondary structure fraction (Helix, Turn, Sheet): (20, 40, 60)

SMILES Notation: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

1 : Patnaik SK, et al. Repurposing of FDA Approved Drugs and Neuropep peptides as Anticancer Agents Against ErbB1 and ErbB2. Drug Res (Stuttg). 2023; 73:341-348. doi: 10.1055/a-2030-4078

Paper title : Repurposing of FDA Approved Drugs and Neuropep peptides as Anticancer Agents Against ErbB1 and ErbB2.

Doi : https://doi.org/10.1055/a-2030-4078

Abstract : ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ErbB1 and ErbB2 proteins. Cytoscape, iGEMDOCK, HPEPDOCK and DataWarrior softwares were used to study the role of these agents as anticancer drugs. Eleven FDA approved drugs and eleven Neuropep peptides showed the strongest 2D interactions and significant binding energy with the proteins. Invitro MTT anticancer assay revealed that, the test compounds, peptide YSFGL and doxorubicin showed significant IC₅₀ value (µM) of 26.417±0.660 and 7.675±0.278 respectively which are compared with the lapatinib standard IC₅₀ value (µM) of 2.380±0.357 against A549 cells and IC₅₀ value (µM) of 39.047±0.770 and 8.313±0.435 respectively which are compared with the lapatinib standard IC₅₀ value (µM) of 3.026±0.180 against MDA-MB-231 cells.