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In silico study of peptide inhibitors against BACE 1
Navya Raj1, Agnes Helen2, N Manoj2
1Department of Computational Biology and Bioinformatics, University of Kerala, Thiruvananthapuram, 695581 Kerala India.
Systems and Synthetic Biology
|May 15, 2015
Summary
This study explores using non-coding DNA to create synthetic peptides (Synpeps) as potential Alzheimer
Area of Science:
- Computational biology and bioinformatics
- Drug discovery and medicinal chemistry
Background:
- Peptides are emerging as crucial inhibitors for disease-specific targets, with many undergoing clinical trials.
- Non-coding DNA sequences, previously overlooked, hold potential for novel therapeutic peptide discovery.
Purpose of the Study:
- To investigate the feasibility of repurposing non-expressing DNA sequences for predicting drug-target specific peptides.
- To identify novel peptide inhibitors against Beta-secretase 1, a key target for Alzheimer's disease (AD).
Main Methods:
- Construction of a synthetic peptide library (Synpeps) from 2500 intergenic Escherichia coli sequences.
- Screening of the Synpep library against Beta-secretase 1.
- In silico analysis including secondary/tertiary structure prediction and protein-protein docking.
Main Results:
- Identification of promising peptide inhibitors through computational screening and docking.
- Detailed analysis of interacting residues and binding poses for lead peptide candidates.
- Encouraging initial results suggesting the potential of synthetic peptides derived from intergenic regions.
Conclusions:
- Synthetic peptides derived from non-coding bacterial DNA show promise as inhibitors for Alzheimer's disease targets.
- Further experimental validation is necessary to confirm the efficacy of these identified peptide inhibitors.
