Title:Short Fragmented Peptides from Pardachirus Marmoratus Exhibit
Stronger Anticancer Activities in In Silico Residue Replacement and
Analyses
Volume: 21
Issue: 6
Author(s): Yong Hui Wong and Sau Har Lee*
Affiliation:
- School of Biosciences, Faculty of Health and Medical Sciences, Taylor’s University, Subang Jaya, 47500,
Malaysia
- Digital Health and Medical Advancements Impact Lab, Taylor’s University, Subang Jaya, 47500, Malaysia
Keywords:
In silico, pardaxin, anticancer peptide, marine-derived peptide, peptide design, peptide length, pardachirus marmoratus.
Abstract:
Background: Cancer is a worldwide issue. It has been observed that conventional therapies
face many problems, such as side effects and drug resistance. Recent research reportedly used
marine-derived products to treat various diseases and explored their potential in treating cancers.
Objective: This study aims to discover short-length anticancer peptides derived from pardaxin 6
through an in silico approach.
Methods: Fragmented peptides ranging from 5 to 15 amino acids were derived from the pardaxin
6 parental peptide. These peptides were further replaced with one residue and, along with the original
fragmented peptides, were predicted for their SVM scores and physicochemical properties.
The top 5 derivative peptides were further examined for their toxicity, hemolytic probability, peptide
structures, docking models, and energy scores using various web servers. The trend of in silico
analysis outputs across 5 to 15 amino acid fragments was further analyzed.
Results: Results showed that when the amino acids were increased, SVM scores of the original
fragmented peptides were also increased. Designed peptides had increased SVM scores, which
was aligned with previous studies where the single residue replacement transformed the non-anticancer
peptide into an anticancer agent. Moreover, in vitro studies validated that the designed peptides
retained or enhanced anticancer effects against different cancer cell lines. Interestingly, a decreasing
trend was observed in those fragmented derivative peptides.
Conclusion: Single residue replacement in fragmented pardaxin 6 was found to produce stronger
anticancer agents through in silico predictions. Through bioinformatics tools, fragmented peptides
improved the efficiency of marine-derived drugs with higher efficacy and lower hemolytic effects
in treating cancers.