Novel AI-2 quorum sensing inhibitors in Vibrio harveyi identified through structure-based virtual screening

Peng Zhu, Hanjing Peng, Nanting Ni, Binghe Wang, Minyong Li

Research output: Contribution to journalArticle

Abstract

In this letter, a high-throughput virtual screening was accomplished to identify potent inhibitors against AI-2 quorum sensing on the basis of Vibrio harveyi LuxPQ crystal structure. Seven compounds were found to inhibit AI-2 quorum sensing with IC50 values in the micromolar range, and presented low cytotoxicity or no cytotoxicity in V. harveyi.

Original languageEnglish (US)
Pages (from-to)6413-6417
Number of pages5
JournalBioorganic and Medicinal Chemistry Letters
Volume22
Issue number20
DOIs
StatePublished - Oct 15 2012
Externally publishedYes

Fingerprint

Quorum Sensing
Vibrio
Cytotoxicity
Screening
Inhibitory Concentration 50
Crystal structure
Throughput

Keywords

  • AI-2
  • LuxPQ
  • Quorum sensing inhibitors
  • Vibrio harveyi
  • Virtual screening

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

Cite this

Novel AI-2 quorum sensing inhibitors in Vibrio harveyi identified through structure-based virtual screening. / Zhu, Peng; Peng, Hanjing; Ni, Nanting; Wang, Binghe; Li, Minyong.

In: Bioorganic and Medicinal Chemistry Letters, Vol. 22, No. 20, 15.10.2012, p. 6413-6417.

Research output: Contribution to journalArticle

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