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Number of results

Journal

2011 | 9 | 3 | 422-431

Article title

Conformational changes of peptidoglycan fragments during their interactions with vancomycin

Content

Title variants

Languages of publication

EN

Abstracts

EN
Six complexes of vancomycin and peptidoglycan precursors were studied via molecular dynamics simulations. The interactions between the antibiotic and peptidoglycan fragments were identified and described in detail. All six studied modifications of the peptidoglycan precursor resulted in a weakening of the interaction with vancomycin when comparing to the native D-Ala-D-Ala-terminated fragment. It was confirmed that the N-terminus of the vancomycin is directly responsible for peptidoglycan recognition and antimicrobial activity. In simulated systems, the saccharide part of the antibiotic interacts with peptide precursors, thus it could also be important for antimicrobial activity. The complex terminated with D-Lac is the only one in which there is a weak interaction with the sugar moiety in the simulated systems. Analysis of conformational changes is a major scope of this work. The lack of interactions resulting from modification of the peptidoglycan precursors (D-Lac, D-Ser or other substitution) would be counterbalanced by proper modifications of the vancomycin moiety, especially the saccharide part of vancomycin.

Publisher

Journal

Year

Volume

9

Issue

3

Pages

422-431

Physical description

Dates

published
1 - 6 - 2011
online
22 - 3 - 2011

Contributors

  • University of Gdańsk
  • University of Gdańsk
  • University of Gdańsk
author
  • University of Gdańsk

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11532-011-0015-9
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