We acknowledge funding from the EC (as part of the NM4TB project) and the BBSRC (grants BB/I019227/1 and BB/I019669/1 to C.A. and A.W.M., respectively). S.A.H. was supported by a Sir Mark Oliphant Cambridge Australia Scholarship awarded by the Cambridge Commonwealth Trust & Cambridge Overseas Trust, University of Cambridge. We give thanks to: Dr. J. Goodman (Cambridge) for assisting with the in silico calculations; Dr. J. E. Davies (Cambridge) for determining the small molecule crystal structure of the 1,5-diphenoltriazole 7; Dr. A. Boodhun (Cambridge) for performing mass spectrometry on recombinant His6-tagged CYP121; Dr. C. Levy (Manchester) for help with synchrotron data collection; Prof. T. L. Blundell (Cambridge) for helpful discussions.
Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121†
Article first published online: 13 AUG 2012
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 51, Issue 37, pages 9311–9316, September 10, 2012
How to Cite
Hudson, S. A., McLean, K. J., Surade, S., Yang, Y.-Q., Leys, D., Ciulli, A., Munro, A. W. and Abell, C. (2012), Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 . Angew. Chem. Int. Ed., 51: 9311–9316. doi: 10.1002/anie.201202544
- Issue published online: 5 SEP 2012
- Article first published online: 13 AUG 2012
- Manuscript Revised: 10 JUN 2012
- Manuscript Received: 1 APR 2012
- BBSRC. Grant Numbers: BB/I019227/1, BB/I019669/1
- Cambridge Commonwealth Trust & Cambridge Overseas Trust, University of Cambridge
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