Volume 90 Issue 32 | p. 35 | Concentrates
Issue Date: August 6, 2012

Computer Design Targets Resistant Bugs

Database filtering yields promising small peptides effective against MRSA
Department: Science & Technology
News Channels: JACS In C&EN, Biological SCENE
Keywords: computer drug design, MRSA, peptides, database filtering
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This computer simulation depicts hydrophilic amino acids (blue) and hydrophobic amino acids (yellow) in the designed peptide DFTamP1.
Credit: Guangshun Wang
A computer graphic of a lumpy yellow blob. Two of the lumps are blue.
 
This computer simulation depicts hydrophilic amino acids (blue) and hydrophobic amino acids (yellow) in the designed peptide DFTamP1.
Credit: Guangshun Wang

A strategy for analyzing a database of anti­microbial peptides shows promise for the computer design of new, more potent antimicrobials—in particular, peptides that kill methicillin-resistant Staphylococcus aureus (MRSA). Guangshun Wang and Biswajit Mishra of the University of Nebraska Medical Center describe a filtering method for generating compounds from their lab’s anti­microbial peptide database. They use a series of filters to select promising combinations of properties—including peptide length, hydrophobicity, and structure—to design peptides with highly tailored bacteria-killing traits (J. Am. Chem. Soc., DOI: 10.1021/ja305644e). The method has already borne fruit: Wang’s group recently designed a peptide dubbed DFTamP1, which they then synthesized. DFTamP1 rapidly destroyed MRSA in culture. The group has also used its method to identify another molecule, temporin-PTa8L, that also shows potent antimicrobial activity. The group plans to use these two peptides as templates for another round of computer-based peptide engineering. The researchers may also incorporate the filtering technology directly into their database.

 
Chemical & Engineering News
ISSN 0009-2347
Copyright © American Chemical Society
Comments
Bhopal mohapatra (Tue Aug 21 11:04:17 EDT 2012)
Good job Biswajit! keep it up

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