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Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approachPerdih, Andrej, farmacevt ...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.Source: Bioorganic & Medicinal Chemistry Letters. - ISSN 0960-894X (Vol. 19, no. 10, 2009, str. 2668-2673)Type of material - article, component partPublish date - 2009Language - englishCOBISS.SI-ID - 2534001
Author
Perdih, Andrej, farmacevt |
Kovač, Andreja, farmacevtka, 1979- |
Wolber, Gerhard |
Blanot, Didier |
Gobec, Stanislav, 1970- |
Šolmajer, Tomaž
Topics
antibiotiki |
odpornost |
inhibitorji |
MurD |
MurE
source: Bioorganic & Medicinal Chemistry Letters. - ISSN 0960-894X (Vol. 19, no. 10, 2009, str. 2668-2673)
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Database name | Field | Year |
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Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
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Perdih, Andrej, farmacevt | 25493 |
Kovač, Andreja, farmacevtka, 1979- | 27782 |
Wolber, Gerhard | |
Blanot, Didier | |
Gobec, Stanislav, 1970- | 15284 |
Šolmajer, Tomaž | 01661 |
Source: Personal bibliographies
and: SICRIS
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