Nature Communications (Feb 2016)

Drug design from the cryptic inhibitor envelope

  • Chul-Jin Lee,
  • Xiaofei Liang,
  • Qinglin Wu,
  • Javaria Najeeb,
  • Jinshi Zhao,
  • Ramesh Gopalaswamy,
  • Marie Titecat,
  • Florent Sebbane,
  • Nadine Lemaitre,
  • Eric J. Toone,
  • Pei Zhou

DOI
https://doi.org/10.1038/ncomms10638
Journal volume & issue
Vol. 7, no. 1
pp. 1 – 7

Abstract

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The conformational dynamics of a compound has a large effect on ligand/receptor binding. Here, the authors employ NMR spectroscopy to study ligand binding to the enzyme LpxC, discovering an inhibitor envelope that was not identifiable by crystallography and subsequently developing a highly potent inhibitor.