Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes
Abstract
Gram-negative multidrug resistance currently presents a serious threat to public health with infections effectively rendered untreatable. Multiple molecular mechanisms exist that cause antibiotic resistance and in addition, the last three decades have seen slowing rates of new drug development. In this paper, we summarize the use of various computational techniques for investigating the mechanisms of multidrug resistance mediated by Gram-negative tripartite efflux pumps and membranes. Recent work in our lab combines data-driven sequence and structure analyses to study the interactions and dynamics of these bacterial components. Computational studies can complement experimental methodologies for gaining crucial insights into combatting multidrug resistance.
- Authors:
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1437825
- Alternate Identifier(s):
- OSTI ID: 1432622
- Report Number(s):
- LA-UR-17-28722
Journal ID: ISSN 0923-2508; S092325081830010X; PII: S092325081830010X
- Grant/Contract Number:
- 20140121DR; AC52-06NA25396
- Resource Type:
- Published Article
- Journal Name:
- Research in Microbiology
- Additional Journal Information:
- Journal Name: Research in Microbiology Journal Volume: 169 Journal Issue: 7-8; Journal ID: ISSN 0923-2508
- Publisher:
- Elsevier
- Country of Publication:
- France
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES; 97 MATHEMATICS AND COMPUTING; Gram-negative bacterial infections; Drug resistance; multiple; bacterial; Computational biology; Molecular dynamics simulation; Sequence analysis; protein
Citation Formats
Travers, Timothy, Wang, Katherine J., López, Cesar A., and Gnanakaran, S. Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes. France: N. p., 2018.
Web. doi:10.1016/j.resmic.2018.01.002.
Travers, Timothy, Wang, Katherine J., López, Cesar A., & Gnanakaran, S. Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes. France. https://doi.org/10.1016/j.resmic.2018.01.002
Travers, Timothy, Wang, Katherine J., López, Cesar A., and Gnanakaran, S. Sat .
"Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes". France. https://doi.org/10.1016/j.resmic.2018.01.002.
@article{osti_1437825,
title = {Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes},
author = {Travers, Timothy and Wang, Katherine J. and López, Cesar A. and Gnanakaran, S.},
abstractNote = {Gram-negative multidrug resistance currently presents a serious threat to public health with infections effectively rendered untreatable. Multiple molecular mechanisms exist that cause antibiotic resistance and in addition, the last three decades have seen slowing rates of new drug development. In this paper, we summarize the use of various computational techniques for investigating the mechanisms of multidrug resistance mediated by Gram-negative tripartite efflux pumps and membranes. Recent work in our lab combines data-driven sequence and structure analyses to study the interactions and dynamics of these bacterial components. Computational studies can complement experimental methodologies for gaining crucial insights into combatting multidrug resistance.},
doi = {10.1016/j.resmic.2018.01.002},
journal = {Research in Microbiology},
number = 7-8,
volume = 169,
place = {France},
year = {Sat Sep 01 00:00:00 EDT 2018},
month = {Sat Sep 01 00:00:00 EDT 2018}
}
https://doi.org/10.1016/j.resmic.2018.01.002
Web of Science