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Computational Evaluation of a Prospective Antimicrobial Peptide for Application in Nanomedicine
, Sethumadhavan R.
Published in American Scientific Publishers
Volume: 6
Issue: 3
Pages: 629 - 634
We analyzed 18 antimicrobial peptides (AMPs), to understand their structural stability for therapeutic use. Out of 18, we found 12 AMPs possess stabilization centers. Among these 12, two AMPs viz., defensin from human (1DFN) and NK-Lysin (1NKL) from pig exhibit significant cation-π- interactions also. Intra-molecular interaction studies showed that 1NKL contain 6 S-S bridges, 8 salt bridges and 28 hydrogen bonds whereas 1DFN contain 12 S-S bridges, 2 salt bridges and 20 hydrogen bonding. Finally, we found the free energy change for NK-Lysin was 4.01 kcal/mol as compared with the free energy change of 17.72 kcal/mol for defensin. Based on this work, we propose that the AMP, NK-Lysin could act as a template for designing the therapeutic peptide nano drug against pathogenic bacteria and fungi and also for peptide based nanostructures. This result is also well supported by an experimental study elsewhere. Copyright © 2009 American Scientific Publishers All rights reserved.
About the journal
JournalData powered by TypesetJournal of Computational and Theoretical Nanoscience
PublisherData powered by TypesetAmerican Scientific Publishers
Open AccessNo