No Association Between <i>Helicobacter pylori</i> Genotypes and Antibiotic Resistance Phenotypes within Families

In order to identify novel inhibitors of the Helicobacter pylori nickel response regulator (HpNikR) an integrative protocol was performed for half a million compounds retrieved from the ZINC database. We firstly implement a structure-based virtual screening to build a library of potential inhibitors against the HpNikR using a docking analysis (AutoDock Vina). The library was then used to perform a hierarchical clustering of docking poses, based on protein-contact footprints calculation from the multiple conformations given by the AutoDock Vina software, and the drug-protein interaction analyses to identify and remove potential promiscuous compounds likely interacting with human proteins, hence causing drug side effects. 250 drug-like compounds were finally proposed as non-promicuous potential inhibitors for HpNikR. These compounds target the DNA-binding sites of HpNikR so that HpNikR-compound binding could be able to mimic key interactions in the DNA-protein recognition process. HpNikR inhibitors with promising potential against H. pylori could also act against other human bacterial pathogens due to the conservation of targeting motif of NikR involved in DNA-protein interaction.

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Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR)

Segura‐Cabrera

Guo

Rojo‐Domínguez

et al. 2011

J Mol Model

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Detection of Phytoconstituents in Column Fractions of n-Hexane Extract of Goldcrest Honey Exhibiting Anti-Helicobacter pylori Activity

Manyi-Loh

Clarke

Ndip

2012

Archives of Medical Research

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Analysis of Antimicrobial Susceptibility and Virulence Factors inHelicobacter pyloriClinical Isolates

Basaglia¹,

Sperandio²,

Tomasini³

et al. 2004

Journal of Chemotherapy

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No Association Between Helicobacter pylori Genotypes and Antibiotic Resistance Phenotypes within Families

Abstract: Molecular typing of H. pylori from family members does not predict antibiotic susceptibility pattern.

Cited by 3 publications

References 6 publications

Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR)

Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR)

Detection of Phytoconstituents in Column Fractions of n-Hexane Extract of Goldcrest Honey Exhibiting Anti-Helicobacter pylori Activity

Analysis of Antimicrobial Susceptibility and Virulence Factors inHelicobacter pyloriClinical Isolates

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