Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.

Journal Article (Journal Article)

The elongation condensing enzymes in the bacterial fatty acid biosynthesis pathway represent desirable targets for the design of novel, broad-spectrum antimicrobial agents. A series of substituted benzoxazolinones was identified in this study as a novel class of elongation condensing enzyme (FabB and FabF) inhibitors using a two-step virtual screening approach. Structure activity relationships were developed around the benzoxazolinone scaffold showing that N-substituted benzoxazolinones were most active. The benzoxazolinone scaffold has high chemical tractability making this chemotype suitable for further development of bacterial fatty acid synthesis inhibitors.

Full Text

Duke Authors

Cited Authors

  • Zheng, Z; Parsons, JB; Tangallapally, R; Zhang, W; Rock, CO; Lee, RE

Published Date

  • June 2014

Published In

Volume / Issue

  • 24 / 11

Start / End Page

  • 2585 - 2588

PubMed ID

  • 24755430

Pubmed Central ID

  • PMC4425204

Electronic International Standard Serial Number (EISSN)

  • 1464-3405

International Standard Serial Number (ISSN)

  • 0960-894X

Digital Object Identifier (DOI)

  • 10.1016/j.bmcl.2014.03.033


  • eng