Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121

Sean A. Hudson; Kirsty J. McLean; Sachin Surade; Yong Qing Yang; David Leys; Alessio Ciulli; Andrew W. Munro; Chris Abell

doi:10.1002/anie.201202544

Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121

Sean A. Hudson, Kirsty J. McLean, Sachin Surade, Yong Qing Yang, David Leys, Alessio Ciulli, Andrew W. Munro, Chris Abell

Research output: Contribution to journal › Article › peer-review

68 Citations (Scopus)

Abstract

Pieces of the puzzle: The first fragment-based approach was used to target cytochrome P450 enzymes (CYPs) for drug development (see scheme). The experiments provide new insights into the binding site of the essential Mycobacterium tuberculosis CYP121 enzyme, and resulted in a promising novel lead compound based on fragment merging.

Original language	English
Pages (from-to)	9311-9316
Number of pages	6
Journal	Angewandte Chemie - International Edition
Volume	51
Issue number	37
Early online date	13 Aug 2012
DOIs	https://doi.org/10.1002/anie.201202544
Publication status	Published - 10 Sep 2012
Externally published	Yes

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abstract = "Pieces of the puzzle: The first fragment-based approach was used to target cytochrome P450 enzymes (CYPs) for drug development (see scheme). The experiments provide new insights into the binding site of the essential Mycobacterium tuberculosis CYP121 enzyme, and resulted in a promising novel lead compound based on fragment merging.",

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AU - Surade, Sachin

AU - Yang, Yong Qing

AU - Leys, David

AU - Ciulli, Alessio

AU - Munro, Andrew W.

AU - Abell, Chris

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KW - drug design

KW - fragment screening

KW - tuberculosis

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Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121

Abstract

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