dbacp05121
General Description
Peptide name : PA38
Source/Organism : Synthetic construct
Linear/Cyclic : Not found
Chirality : Not found
Sequence Information
Sequence : RQIKIWFQNRRMKWKKGGKYNGRFTTHHLLHLLNHHHHHH
Peptide length: 40
C-terminal modification: Not found
N-terminal modification : Not found
Non-natural peptide information: None
Activity Information
Assay type : Cell viability assay
Assay time : 24h
Activity : MIC : 10 μM
Cell line : 184B5
Cancer type : Breast cancer
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 5129.8834 Dalton
Aliphatic index : 0.585
Instability index : 19.7225
Hydrophobicity (GRAVY) : -1.445
Isoelectric point : 12
Charge (pH 7) : 9.5386
Aromaticity : 0.125
Molar extinction coefficient (cysteine, cystine): (12490, 12490)
Hydrophobic/hydrophilic ratio : 0.53846153
hydrophobic moment : -0.125
Missing amino acid : C,P,E,S,D,A,V
Most occurring amino acid : H
Most occurring amino acid frequency : 9
Least occurring amino acid : M
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.2, 0.1, 0.3)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)[C@@H](C)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHHHHHHTTTCCTTTEEEEHHHHHHHHHHTTT |
| Chou-Fasman (CF) | CEEEEECCHHHHHHCCCCCCCEEEEHHHHHHHHHHHHCCC |
| Neural Network (NN) | CCHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHCCCC |
| Joint/Consensus | CCHHHHHHHHHHHHCCCCCCCCCEEHHHHHHHHHHHHCCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
Reference
1 : Puvvula PK and Moon AM. Discovery and characterization of anti-cancer peptides from a random peptide library. PLoS One. 2024; 19:e0293072. doi: 10.1371/journal.pone.0293072
Literature
Paper title : Discovery and characterization of anti-cancer peptides from a random peptide library.
Doi : https://doi.org/10.1371/journal.pone.0293072
Abstract : We performed a forward genetic screen to discover peptides that specifically target breast cancer cells using a Penetratin tagged, random 15mer peptide library. We identified a group of novel peptides that specifically inhibited the proliferation and survival of breast cancer cells without affecting normal primary mammary epithelial cells or fibroblasts. The intrinsic apoptotic pathway is activated by these peptides in the face of abnormal expression of numerous cell cycle regulatory genes. Associated alterations in histone marks, nuclear structure, and levels of critical RNA binding proteins vary in a peptide specific manner. This study demonstrates a novel method for the discovery of new potential therapeutic peptides.