期刊
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
卷 105, 期 -, 页码 -出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.jmgm.2021.107902
关键词
Ribosome; Simulation; Antibiotics; Radezolid; Oxazolidinone; Molecular dynamics
类别
资金
- Russian Science Foundation [18-74-00022]
- Government of the Russian Federation [211, 02.A03.21.0011]
- Russian Science Foundation [18-74-00022] Funding Source: Russian Science Foundation
Radezolid is a promising antibiotic from the oxazolidinone family that can overcome some linezolid resistance mechanisms in bacterial ribosomes. Through molecular dynamics simulations, it is suggested that Radezolid may bind to an alternative binding site in the ribosome.
Radezolid is a promising antibiotic of oxazolidinone family, which is able to overcome effect of some linezolid resistance mechanisms of bacterial ribosomes. The structure of the radezolid complex with ribosomes was never published but, by analogy with linezolid, it is considered to prevent the binding of aminoacyl-tRNA to the A-site of the ribosome large subunit. However, as with linezolid, it can be assumed that radezolid binds to the alternative binding site existing in the A,A/P,P-ribosome. In the present article we have investigated this issue by molecular dynamics simulations and proposed the structure of the radezolid complex with a E. coli ribosome, which is consistent with available data of biochemical investigations of radezolid action. ? 2021 Elsevier Inc. All rights reserved.
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