HTS, chemical hybridization, and drug design identify a chemically unique antituberculosis agent-coupling serendipity and rational approaches to drug discovery

Jialin Mao, Baojie Wan, Yuehong Wang, Scott G. Franzblau, Alan P. Kozikowski

Research output: Contribution to journalArticlepeer-review

Abstract

The high throughput screening of two chemical libraries against Mycobacterium tuberculosis led to the design of hybrid compounds by using nitrile oxide cycloaddition chemistry. One of the hybrids shows an excellent MIC against M. tuberculosis H37Rv. As this molecule shows no CYP3A4 inhibition and a maximum tolerated dose of ≥200 mgkg-1 po in mice, it represents a potential drug candidate for TB therapy. (Chemical Equation Presented)

Original languageEnglish (US)
Pages (from-to)811-813
Number of pages3
JournalChemMedChem
Volume2
Issue number6
DOIs
StatePublished - Jun 11 2007

Keywords

  • Isoxazole
  • MIC
  • Mefloquine
  • Nitrile oxide cycloaddition
  • Tuberculosis

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Pharmacology
  • Drug Discovery
  • Pharmacology, Toxicology and Pharmaceutics(all)
  • Organic Chemistry

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