Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps

Over-expression of multidrug efflux pumps of the Resistance Nodulation Division (RND) protein super family counts among the main causes for microbial resistance against pharmaceuticals. Understanding the molecular basis of this process is one of the major challenges of modern biomedical research, in...

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Detalles Bibliográficos
Autores principales: Ruggerone, Paolo, Vargiu, Attilio V., Collu, Francesca, Fischer, Nadine, Kandt, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology (RNCSB) Organization 2013
Materias:
Mini Reviews
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3962194/
https://www.ncbi.nlm.nih.gov/pubmed/24688701
http://dx.doi.org/10.5936/csbj.201302008
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author Ruggerone, Paolo
Vargiu, Attilio V.
Collu, Francesca
Fischer, Nadine
Kandt, Christian
author_facet Ruggerone, Paolo
Vargiu, Attilio V.
Collu, Francesca
Fischer, Nadine
Kandt, Christian
author_sort Ruggerone, Paolo
collection PubMed
description Over-expression of multidrug efflux pumps of the Resistance Nodulation Division (RND) protein super family counts among the main causes for microbial resistance against pharmaceuticals. Understanding the molecular basis of this process is one of the major challenges of modern biomedical research, involving a broad range of experimental and computational techniques. Here we review the current state of RND transporter investigation employing molecular dynamics simulations providing conformational samples of transporter components to obtain insights into the functional mechanism underlying efflux pump-mediated antibiotics resistance in Escherichia coli and Pseudomonas aeruginosa.
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spelling pubmed-39621942014-03-31 Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps Ruggerone, Paolo Vargiu, Attilio V. Collu, Francesca Fischer, Nadine Kandt, Christian Comput Struct Biotechnol J Mini Reviews Over-expression of multidrug efflux pumps of the Resistance Nodulation Division (RND) protein super family counts among the main causes for microbial resistance against pharmaceuticals. Understanding the molecular basis of this process is one of the major challenges of modern biomedical research, involving a broad range of experimental and computational techniques. Here we review the current state of RND transporter investigation employing molecular dynamics simulations providing conformational samples of transporter components to obtain insights into the functional mechanism underlying efflux pump-mediated antibiotics resistance in Escherichia coli and Pseudomonas aeruginosa. Research Network of Computational and Structural Biotechnology (RNCSB) Organization 2013-03-03 /pmc/articles/PMC3962194/ /pubmed/24688701 http://dx.doi.org/10.5936/csbj.201302008 Text en © Ruggerone et al. http://creativecommons.org/licenses/by/3.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly cited.
spellingShingle Mini Reviews
Ruggerone, Paolo
Vargiu, Attilio V.
Collu, Francesca
Fischer, Nadine
Kandt, Christian
Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
title Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
title_full Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
title_fullStr Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
title_full_unstemmed Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
title_short Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
title_sort molecular dynamics computer simulations of multidrug rnd efflux pumps
topic Mini Reviews
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3962194/
https://www.ncbi.nlm.nih.gov/pubmed/24688701
http://dx.doi.org/10.5936/csbj.201302008
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