Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase

A.W. Hung, H.L. Silvestre, S. Wen, Alessio Ciulli, T.L. Blundell, C. Abell

    Research output: Contribution to journalArticlepeer-review

    115 Citations (Scopus)

    Abstract

    Two distinct strategies uncovered potent inhibitors of the title enzyme. X-ray crystallography and isothermal titration calorimetry guided the systematic elaboration of fragments identified from biophysical screens. The excellent inhibitor shown in the enzyme active site on the right was formed by connection of the lead fragments (left) with an acyl sulfonamide linker and resembles the best inhibitor discovered by the fragment-growing strategy.
    Original languageEnglish
    Pages (from-to)8452-8456
    Number of pages5
    JournalAngewandte Chemie International Edition
    Volume48
    Issue number45
    DOIs
    Publication statusPublished - 26 Oct 2009

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