Molecular dynamics simulation of the complex PBP-2x with drug cefuroxime to explore the drug resistance mechanism of Streptococcus suis R61.

doi:10.1371/journal.pone.0035941

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Article

Molecular dynamics simulation of the complex PBP-2x with drug cefuroxime to explore the drug resistance mechanism of Streptococcus suis R61.

PloS one - 1 Jan 2012

Ge Yan, Wu Jiayan, Xia Yingjie, Yang Ming, Xiao Jingfa, Yu Jun

Abstract excerpt

Drug resistance of Streptococcus suis strains is a worldwide problem for both humans and pigs. Previous studies have noted that penicillin-binding protein (PBPs) mutation is one important cause of β-lactam antibiotic resistance. In this study, we used the molecular dynamics (MD) method to study the interaction differences between cefuroxime (CES) and PBP2x within two newly sequenced Streptococcus suis:...

Topics

Amino Acid Sequence
Anti-Bacterial Agents
Binding Sites
Cefuroxime
Drug Resistance, Bacterial
Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Molecular Dynamics Simulation
Molecular Sequence Data
Mutation

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Penicillin-Binding Proteins

Protein Binding

Protein Structure, Tertiary

Sequence Alignment

Streptococcus suis

Thermodynamics

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Identifiers

PMID: 22563422
DOI: 10.1371/journal.pone.0035941
PMCID: PMC3338546

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