Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations

Polymyxins are used as last-resort antibiotics, where other treatments have been ineffectual due to antibiotic resistance. However, resistance to polymyxins has also been now reported, therefore it is instructive to characterise at the molecular level, the mechanisms of action of polymyxins. Here we...

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Autores principales: Weerakoon, Dhanushka, Petrov, Kamen, Pedebos, Conrado, Khalid, Syma
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8724489/
https://www.ncbi.nlm.nih.gov/pubmed/35047090
http://dx.doi.org/10.1007/s12551-021-00869-8
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author Weerakoon, Dhanushka
Petrov, Kamen
Pedebos, Conrado
Khalid, Syma
author_facet Weerakoon, Dhanushka
Petrov, Kamen
Pedebos, Conrado
Khalid, Syma
author_sort Weerakoon, Dhanushka
collection PubMed
description Polymyxins are used as last-resort antibiotics, where other treatments have been ineffectual due to antibiotic resistance. However, resistance to polymyxins has also been now reported, therefore it is instructive to characterise at the molecular level, the mechanisms of action of polymyxins. Here we review insights into these mechanisms from molecular dynamics simulations and discuss the utility of simulations as a complementary technique to  experimental methodologies.
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spelling pubmed-87244892022-01-18 Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations Weerakoon, Dhanushka Petrov, Kamen Pedebos, Conrado Khalid, Syma Biophys Rev Review Polymyxins are used as last-resort antibiotics, where other treatments have been ineffectual due to antibiotic resistance. However, resistance to polymyxins has also been now reported, therefore it is instructive to characterise at the molecular level, the mechanisms of action of polymyxins. Here we review insights into these mechanisms from molecular dynamics simulations and discuss the utility of simulations as a complementary technique to  experimental methodologies. Springer Berlin Heidelberg 2021-11-22 /pmc/articles/PMC8724489/ /pubmed/35047090 http://dx.doi.org/10.1007/s12551-021-00869-8 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Review
Weerakoon, Dhanushka
Petrov, Kamen
Pedebos, Conrado
Khalid, Syma
Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations
title Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations
title_full Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations
title_fullStr Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations
title_full_unstemmed Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations
title_short Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulations
title_sort polymyxin b1 within the e. coli cell envelope: insights from molecular dynamics simulations
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8724489/
https://www.ncbi.nlm.nih.gov/pubmed/35047090
http://dx.doi.org/10.1007/s12551-021-00869-8
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