Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach

In this study, we investigated the influence of molecular descriptors of cationic lipopeptides on their antimicrobial activity and hemolytic properties. The quantitative structure–activity relationship and quantitative structure–property relationship models were constructed. The antimicrobial, hemol...

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Autores principales: Greber, Katarzyna E., Ciura, Krzesimir, Belka, Mariusz, Kawczak, Piotr, Nowakowska, Joanna, Bączek, Tomasz, Sawicki, Wiesław
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Vienna 2017
Materias:
Short Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5852172/
https://www.ncbi.nlm.nih.gov/pubmed/29264738
http://dx.doi.org/10.1007/s00726-017-2530-2
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author Greber, Katarzyna E.
Ciura, Krzesimir
Belka, Mariusz
Kawczak, Piotr
Nowakowska, Joanna
Bączek, Tomasz
Sawicki, Wiesław
author_facet Greber, Katarzyna E.
Ciura, Krzesimir
Belka, Mariusz
Kawczak, Piotr
Nowakowska, Joanna
Bączek, Tomasz
Sawicki, Wiesław
author_sort Greber, Katarzyna E.
collection PubMed
description In this study, we investigated the influence of molecular descriptors of cationic lipopeptides on their antimicrobial activity and hemolytic properties. The quantitative structure–activity relationship and quantitative structure–property relationship models were constructed. The antimicrobial, hemolytic and retention data were used as dependent variable and structural parameters as the independent ones. The obtained results suggest that the chromatographic indexes can be employed for prediction of antibacterial activity and that lipopeptides present nonspecific interaction between erythrocytes and bacterial membranes. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (10.1007/s00726-017-2530-2) contains supplementary material, which is available to authorized users.
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spelling pubmed-58521722018-03-21 Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach Greber, Katarzyna E. Ciura, Krzesimir Belka, Mariusz Kawczak, Piotr Nowakowska, Joanna Bączek, Tomasz Sawicki, Wiesław Amino Acids Short Communication In this study, we investigated the influence of molecular descriptors of cationic lipopeptides on their antimicrobial activity and hemolytic properties. The quantitative structure–activity relationship and quantitative structure–property relationship models were constructed. The antimicrobial, hemolytic and retention data were used as dependent variable and structural parameters as the independent ones. The obtained results suggest that the chromatographic indexes can be employed for prediction of antibacterial activity and that lipopeptides present nonspecific interaction between erythrocytes and bacterial membranes. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (10.1007/s00726-017-2530-2) contains supplementary material, which is available to authorized users. Springer Vienna 2017-12-20 2018 /pmc/articles/PMC5852172/ /pubmed/29264738 http://dx.doi.org/10.1007/s00726-017-2530-2 Text en © The Author(s) 2017 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Short Communication
Greber, Katarzyna E.
Ciura, Krzesimir
Belka, Mariusz
Kawczak, Piotr
Nowakowska, Joanna
Bączek, Tomasz
Sawicki, Wiesław
Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
title Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
title_full Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
title_fullStr Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
title_full_unstemmed Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
title_short Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
title_sort characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on qsar/qstr approach
topic Short Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5852172/
https://www.ncbi.nlm.nih.gov/pubmed/29264738
http://dx.doi.org/10.1007/s00726-017-2530-2
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