Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase

Chih Jung Kuo, Rey Ting Guo, I. Lin Lu, Hong Gi Liu, Su Ying Wu, Tzu Ping Ko, Andrew H.J. Wang, Po Huang Liang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Helicobacter Pylori colonizes the human gastric epithelium and causes diseases such as gastritis, peptic ulcers, and stomach cancer. Undecaprenyl pyrophosphate synthase (UPPs), which catalyzes consecutive condensation reactions of farnesyl pyrophosphate with eight isopentenyl pyrophosphate to form lipid carrier for bacterial peptidoglycan biosynthesis, represents a potential target for developing new antibiotics. In the present study, X-ray structural analysis and computer virtual screening of inhibitors were performed for H. pylori UPPs. The 3-D structure of H. pylori UPPs was solved, with subtle variations from that of E. coli UPPs. Using the structures, two hits identified from 58,635 compounds through computer virtual screening displayed differential activities against H. pylori and E. coli UPPs.

Original languageEnglish
Title of host publicationProceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007
Pages305-310
Number of pages6
DOIs
Publication statusPublished - 2007
Externally publishedYes
EventFrontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007 - Jeju Island, Korea, Republic of
Duration: Oct 11 2007Oct 13 2007

Publication series

NameProceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007

Conference

ConferenceFrontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007
Country/TerritoryKorea, Republic of
CityJeju Island
Period10/11/0710/13/07

ASJC Scopus subject areas

  • Computer Science Applications
  • Information Systems

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