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 journalArticlepeer-review

    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. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
    Original languageEnglish
    Pages (from-to)9311-9316
    Number of pages5
    JournalAngewandte Chemie - International Edition
    Volume51
    Issue number37
    DOIs
    Publication statusPublished - 10 Sept 2012

    Keywords

    • cytochrome P450
    • drug design
    • fragment screening
    • tuberculosis

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