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

doi:10.1109/FBIT.2007.34

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 proceeding › Conference contribution

2 Citations (Scopus)

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 language	English
Title of host publication	Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007
Pages	305-310
Number of pages	6
DOIs	https://doi.org/10.1109/FBIT.2007.34
Publication status	Published - 2007
Externally published	Yes
Event	Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007 - Jeju Island, Korea, Republic of Duration: Oct 11 2007 → Oct 13 2007

Publication series

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

Conference

Conference	Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007
Country/Territory	Korea, Republic of
City	Jeju Island
Period	10/11/07 → 10/13/07

ASJC Scopus subject areas

Computer Science Applications
Information Systems

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1109/FBIT.2007.34

Cite this

Kuo, C. J., Guo, R. T., Lu, I. L., Liu, H. G., Wu, S. Y., Ko, T. P., Wang, A. H. J., & Liang, P. H. (2007). Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase. In Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007 (pp. 305-310). Article 4524124 (Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007). https://doi.org/10.1109/FBIT.2007.34

Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase. / Kuo, Chih Jung; Guo, Rey Ting; Lu, I. Lin et al.
Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007. 2007. p. 305-310 4524124 (Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kuo, CJ, Guo, RT, Lu, IL, Liu, HG, Wu, SY, Ko, TP, Wang, AHJ & Liang, PH 2007, Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase. in Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007., 4524124, Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007, pp. 305-310, Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007, Jeju Island, Korea, Republic of, 10/11/07. https://doi.org/10.1109/FBIT.2007.34

Kuo CJ, Guo RT, Lu IL, Liu HG, Wu SY, Ko TP et al. Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase. In Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007. 2007. p. 305-310. 4524124. (Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007). doi: 10.1109/FBIT.2007.34

Kuo, Chih Jung ; Guo, Rey Ting ; Lu, I. Lin et al. / Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase. Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007. 2007. pp. 305-310 (Proceedings of the Frontiers in the Convergence of Bioscience and Information Technologies, FBIT 2007).

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title = "Crystal structures and computer screened inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase",

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.",

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

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AU - Kuo, Chih Jung

AU - Guo, Rey Ting

AU - Lu, I. Lin

AU - Liu, Hong Gi

AU - Wu, Su Ying

AU - Ko, Tzu Ping

AU - Wang, Andrew H.J.

AU - Liang, Po Huang

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N2 - 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.

AB - 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.

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ER -

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

Abstract

Publication series

Conference

ASJC Scopus subject areas

UN SDGs

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