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
Descripción
Sumario: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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