Fakulteta za farmacijo, Ljubljana (FFALJ)
  • Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach
    Perdih, Andrej, farmacevt, 2.9.1980- ...
    The peptidoglycan biosynthetic pathway provides an array of potential targets for antibacterial drug design, attractive especially with respect to selectivetoxicity. Within this pathway, the members ... of the Mur ligase family are considered as promising emerging targets for novel antibacterial drug design. Based on the available MurD crystal structures co-crystallised with N-sulphonyl glutamic acid inhibitors, a virtual screening campaign was performed, combining three-dimensional structure-based pharmacophores and molecular docking calculations. A novel class of glutamic acid surrogates - benzene 1,3-dicarboxylic acid derivatives - were identified and compounds 14 and 16 found to possess dual MurD and MurE inhibitory activity.
    Vir: Bioorganic & Medicinal Chemistry Letters. - ISSN 0960-894X (2009, 9 str.)
    Vrsta gradiva - članek, sestavni del
    Leto - 2009
    Jezik - angleški
    COBISS.SI-ID - 2534001
    DOI

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