Water-mediated network in the resistance mechanism of fosfomycin.

doi:10.1039/c8cp02860e

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Article

Water-mediated network in the resistance mechanism of fosfomycin.

Physical chemistry chemical physics : PCCP - 22 Aug 2018

McClory James, Lin Jun-Tang, Timson David J, Zhang Jian, Huang Meilan

Abstract excerpt

Fosfomycin Resistance Kinase A (FomA) catalyzes the phosphorylation of fosfomycin, which is an effective antibiotic for treating urinary tract infections. Understanding the chemical reaction mechanism is essential for developing strategies to counter the resistance of fosfomycin in clinical settings. Here the catalytic mechanism of FomA was investigated using molecular dynamic simulations in conjunction with...

Topics

Bacterial Proteins
Catalytic Domain
Drug Resistance, Microbial
Fosfomycin
Hydrogen Bonding
Models, Chemical
Molecular Dynamics Simulation
Mutation
Phosphorylation
Protein Conformation
Protein Kinases
Quantum Theory
Streptomyces
Water

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Open in PubMed

Identifiers

PMID: 30101239
DOI: 10.1039/c8cp02860e

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