Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes

Journal Article · Sat Sep 01 00:00:00 EDT 2018 · Research in Microbiology

DOI:https://doi.org/10.1016/j.resmic.2018.01.002· OSTI ID:1437825

Travers, Timothy ; Wang, Katherine J.; López, Cesar A.; Gnanakaran, S.

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.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• Sponsoring Organization: USDOE
• Grant/Contract Number: 20140121DR; AC52-06NA25396
• OSTI ID: 1437825
• Alternate ID(s): OSTI ID: 1432622
• Report Number(s): LA-UR-17-28722; S092325081830010X; PII: S092325081830010X
• Journal Information: Research in Microbiology, Journal Name: Research in Microbiology Vol. 169 Journal Issue: 7-8; ISSN 0923-2508
• Publisher: Elsevier
• Country of Publication: France
• Language: English

Related Subjects

59 BASIC BIOLOGICAL SCIENCES
97 MATHEMATICS AND COMPUTING
Gram-negative bacterial infections
Drug resistance
multiple
bacterial
Computational biology
Molecular dynamics simulation
Sequence analysis
protein