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

被引：12

作者：

Weerakoon, Dhanushka ^{[1
]}

Petrov, Kamen ^{[2
]}

Pedebos, Conrado ^{[1
,3
]}

Khalid, Syma ^{[1
,3
]}

机构：

[1] Univ Southampton, Sch Chem, Southampton SO17 1BJ, England

[2] Univ Oxford, Hertford Coll, Oxford OX1 3BW, England

[3] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England

来源：

BIOPHYSICAL REVIEWS | 2021年 / 13卷 / 06期

基金：

英国工程与自然科学研究理事会;

关键词：

Polymyxins; Bacterial Membranes; Molecular dynamics; OUTER-MEMBRANE; ACINETOBACTER-BAUMANNII; FREE-ENERGY; LIPOPOLYSACCHARIDE; BINDING; ANTIBIOTICS; RESISTANCE; INNER; PENETRATION; MECHANISM;

D O I：

10.1007/s12551-021-00869-8

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

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.

引用

页码：1061 / 1070

页数：10

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