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

被引:0
|
作者
Dhanushka Weerakoon
Kamen Petrov
Conrado Pedebos
Syma Khalid
机构
[1] University of Southampton,School of Chemistry
[2] University of Oxford,Hertford College
[3] University of Oxford,Department of Biochemistry
来源
Biophysical Reviews | 2021年 / 13卷
关键词
 Polymyxins ; Bacterial Membranes; Molecular dynamics;
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学科分类号
摘要
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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页码:1061 / 1070
页数:9
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