Publication

Article Metrics

Citations


Online attention

A structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR

DOI: 10.1042/BJ20131127 DOI Help

Authors: Sachin Surade (University of Cambridge) , Nancy Ty (University of Cambridge) , Narin Hengrung (University of Cambridge) , Benoit Lechartier (Global Health Institute, Switzerland) , Stewart t. Cole (Global Health Institute, Switzerland) , Chris Abell (University of Cambridge) , Tom l. Blundell (University of Cambridge)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Biochemical Journal , VOL 458 , PAGES 387 - 394

State: Published (Approved)
Published: March 2014

Abstract: We report fragment screening to discover inhibitors of EthR. We demonstrate that a fragment-based approach involving flexible fragments leads to an efficient exploration of chemical space, and these are able to identify hydrogen-bonding opportunities in a hydrophobic environment.

Subject Areas: Biology and Bio-materials


Instruments: I03-Macromolecular Crystallography , I04-Macromolecular Crystallography

Discipline Tags:



Technical Tags: