In silico study of peptide inhibitors against BACE 1

Peptides are increasingly used as inhibitors of various disease specific targets. Several naturally occurring and synthetically developed peptides are undergoing clinical trials. Our work explores the possibility of reusing the non-expressing DNA sequences to predict potential drug-target specific p...

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Published in:Systems and synthetic biology 2015-06, Vol.9 (1-2), p.67-72
Main Authors: Raj, Navya, Helen, Agnes, Manoj, N., Harish, G., Thomas, Vipin, Singh, Shailja, Sehrawat, Seema, Seth, Shaguna, Nair, Achuthsankar S., Grover, Abhinav, Dhar, Pawan K.
Format: Article
Language:English
Subjects:
Alzheimer's disease
Biomedical and Life Sciences
Biomedicine
Computational Biology/Bioinformatics
Metabolomics
Peptides
Pharmaceutical sciences
Research Article
Synthetic biology
Systems Biology
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Summary:Peptides are increasingly used as inhibitors of various disease specific targets. Several naturally occurring and synthetically developed peptides are undergoing clinical trials. Our work explores the possibility of reusing the non-expressing DNA sequences to predict potential drug-target specific peptides. Recently, we experimentally demonstrated the artificial synthesis of novel proteins from non-coding regions of Escherichia coli genome. In this study, a library of synthetic peptides ( Synpeps ) was constructed from 2500 intergenic E. coli sequences and screened against Beta-secretase 1 protein, a known drug target for Alzheimer’s disease (AD). Secondary and tertiary protein structure predictions followed by protein–protein docking studies were performed to identify the most promising enzyme inhibitors. Interacting residues and favorable binding poses of lead peptide inhibitors were studied. Though initial results are encouraging, experimental validation is required in future to develop efficient target specific inhibitors against AD.
ISSN:1872-5325
1872-5333
DOI:10.1007/s11693-015-9169-7