Application of 3D-QSAR for Identification of Descriptors Defining Bioactivity of Antimicrobial Peptides.

Application of 3D-QSAR for Identification of Descriptors Defining Bioactivity of Antimicrobial Peptides. Research Abstract Details 

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Application of 3D-QSAR for Identification of Descriptors Defining Bioactivity of Antimicrobial Peptides. Abstract Text:

Jayendra B Bhonsle,Divakaramenon Venugopal,Donald P Huddler,Alan J Magill,Rickey P Hicks,Jayendra B Bhonsle,Divakaramenon Venugopal,Donald P Huddler,Alan J Magill,Rickey P Hicks,Jayendra B Bhonsle,Divakaramenon Venugopal,Donald P Huddler,Alan J Magill,Rickey P Hicks,

In our laboratory, a series of antimicrobial peptides have been developed, where the resulting 3D-physicochemical properties are controlled by the placement of amino acids with well-defined properties (hydrophobicity, charge density, electrostatic potential, and so on) at specific locations along the peptide backbone. These peptides exhibited different in vitro activity against Staphylococcus aureus (SA) and Mycobacterium ranae (MR) bacteria. We hypothesized that the differences in the biological activity is a direct manifestation of different physicochemical interactions that occur between the peptides and the cell membranes of the bacteria. 3D-QSAR analysis has shown that, within this series, specific physicochemical properties are responsible for antibacterial activity and selectivity. There are five physicochemical properties specific to the SA QSAR model, while five properties are specific to the MR QSAR model. These results support the hypothesis that, for any particular AMP, organism selectivity and potency are controlled by the chemical composition of the target cell membrane.

Application of 3D-QSAR for Identification of Descriptors Defining Bioactivity of Antimicrobial Peptides. Publishing Authors By Initials

JB Bhonsle,D Venugopal,DP Huddler,AJ Magill,RP Hicks,JB Bhonsle,D Venugopal,DP Huddler,AJ Magill,RP Hicks,JB Bhonsle,D Venugopal,DP Huddler,AJ Magill,RP Hicks,

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Application of 3D-QSAR for Identification of Descriptors Defining Bioactivity of Antimicrobial Peptides. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Journal of medicinal chemistry

VOLUME: 50

Page Numbers: 6545-53

Journal Abbreviation: J. Med. Chem.

ISSN: 0022-2623

DAY: 7

MONTH: 12

YEAR: 2007

Application of 3D-QSAR for Identification of Descriptors Defining Bioactivity of Antimicrobial Peptides. Information

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LANGUAGE: eng

NlmUniqueID: 9716531

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AFFILIATION: hicksr@ecu.edu, jayendra.bhonsle@na.amedd.army.mil.

Country: United States

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MEDLINETA: J Med Chem

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